Brightway Flows 1.0
GitHub

2,2,6,6-tetramethylpiperidin-4-amine

fo-f7c83135726fc64c

Identity

Type
Neutral molecule
CAS
36768-62-4
EC
253-197-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2,6,6-tetramethylpiperidin-4-amine

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FTVFPPFZRRKJIH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H20N2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6,10H2,1-4H3
IUPAC name chemrof:IUPAC_name 2,2,6,6-tetramethylpiperidin-4-amine
Molecular formula chemrof:molecular_formula C9H20N2
Molecular mass chemrof:molecular_mass 156.273
Monoisotopic mass chemrof:monoisotopic_mass 156.162649
SMILES string chemrof:smiles_string CC1(C)CC(N)CC(C)(C)N1

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=36768-62-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.345 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3044388 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=102510 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL368366 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ETF220Q65R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.335F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/37524 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27277360 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Amino-2,2,6,6-tetramethylpiperidine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9cf67b5f-ca02-43c9-adff-2597f386363c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1074fa75-ccfb-45d6-adb3-2b39239aea98 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1320f869-6116-4807-b355-57070fe3c050 Environmental → Air → Indoor EF 3.1 kg 2
dd52ad3f-a47f-4481-88b8-805a36bc23ef Environmental → Air → Long-term EF 3.1 kg 0
02c2fb32-22de-43fa-9598-7391a0e82da1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
62295654-8a9e-4221-8824-e8774fe2d54e Environmental → Air → Unknown EF 3.1 kg 2
a1090d07-8397-4761-a19a-66362f513bd3 Environmental → Ground → Agricultural EF 3.1 kg 2
6cb6df43-b41c-4a27-a308-fdfb4d515fe2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
98d9a4e6-1f7f-4341-93e4-903c779d83fb Environmental → Ground → Unknown EF 3.1 kg 2
d1a6eec7-080e-47d5-9288-4a216ae0f9c0 Environmental → Water → Long-term EF 3.1 kg 0
40d10825-2b2a-45fb-bc6c-a071d5b00671 Environmental → Water → Ocean EF 3.1 kg 2
163959e6-289b-40fe-bdc7-981f01fff362 Environmental → Water → Surface water EF 3.1 kg 2
ff5ac864-9523-4dcd-9825-af647431bdde Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f7c83135726fc64c",
  "prefLabel": [
    {
      "@value": "2,2,6,6-tetramethylpiperidin-4-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2,6,6-Tetramethyl-4-aminopiperidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:36768-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,6,6-Tetramethyl-4-piperidinamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:36768-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,6,6-Tetramethyl-4-piperidylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:36768-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-2,2,6,6-tetramethylpiperidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:36768-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Piperidinamine, 2,2,6,6-tetramethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:36768-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "EP-S 299",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:36768-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triacetonediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:36768-62-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H20N2"
      ],
      "attested_by": {
        "C9H20N2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:37524"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N)CC(C)(C)N1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FTVFPPFZRRKJIH-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "FTVFPPFZRRKJIH-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:37524"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N)CC(C)(C)N1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC1(C)CC(N)CC(C)(C)N1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "2,2,6,6-tetramethylpiperidin-4-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N)CC(C)(C)N1"
          ]
        }
      ],
      "attested_by": {
        "CC1(C)CC(N)CC(C)(C)N1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H20N2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6,10H2,1-4H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "2,2,6,6-tetramethylpiperidin-4-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N)CC(C)(C)N1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H20N2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6,10H2,1-4H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,2,6,6-tetramethylpiperidin-4-amine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "2,2,6,6-tetramethylpiperidin-4-amine"
        ]
      },
      "attested_by": {
        "2,2,6,6-tetramethylpiperidin-4-amine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        156.273
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1(CC(CC(N1)(C)C)N)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N)CC(C)(C)N1"
          ]
        }
      ],
      "attested_by": {
        "156.273": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        156.162649
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1(CC(CC(N1)(C)C)N)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1(C)CC(N)CC(C)(C)N1"
          ]
        }
      ],
      "attested_by": {
        "156.162649": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.335F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.048.345",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3044388",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=102510",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/4-Amino-2,2,6,6-tetramethylpiperidine",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ETF220Q65R",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/37524",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[36768-62-4]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL368366",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27277360",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:37524;CAS:36768-62-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36768-62-4]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "02c2fb32-22de-43fa-9598-7391a0e82da1",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "36768-62-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=36768-62-4"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "253-197-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=253-197-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Something wrong here?

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close