Consensus flow list

Identity

Type
Neutral molecule
CAS
51772-35-1
EC
257-406-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SNWVRVDHQRBBFG-UHFFFAOYSA-N, XFDOJPZNTFKNCS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H29N/c1-23(2,3)17-24(4,5)20-14-8-9-15-22(20)25-21-16-10-12-18-11-6-7-13-19(18)21/h6-16,25H,17H2,1-5H3
IUPAC name chemrof:IUPAC_name N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine
Molecular formula chemrof:molecular_formula C24H29N
SMILES string chemrof:smiles_string CC(C)(C)CC(C)(C)c1ccccc1Nc1cccc2ccccc12

Known URLs

3

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=51772-35-1 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50866219 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/40123 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
86524b7d-f8d4-42d5-8688-6e3e0884e1c2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9a5300b0-cacb-4691-a695-573f331e1566 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
32af1708-ff8b-476d-ba88-86dfd3880e4a Environmental → Air → Indoor EF 3.1 kg 4
77558c3c-5e94-4755-956c-a977f51ae820 Environmental → Air → Long-term EF 3.1 kg 0
1adaeb4a-0d5a-40b7-9936-a077f5a6e416 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ae737f8d-895d-4588-8c6d-a48b9872e4d5 Environmental → Air → Unknown EF 3.1 kg 4
1865c778-7fda-4aca-8743-6f5a4860c2a9 Environmental → Ground → Agricultural EF 3.1 kg 4
9cb93eff-8e1d-406b-9573-089efb898392 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a834a6cf-6f1c-4775-bf11-927f5b27d5b4 Environmental → Ground → Unknown EF 3.1 kg 4
4db71960-3984-4194-80d0-e6688510aaea Environmental → Water → Long-term EF 3.1 kg 0
5e96a17b-c9e7-49d4-9cd8-8ac941011c12 Environmental → Water → Ocean EF 3.1 kg 4
f541bf16-85a0-4e46-ae28-f5efe8c66bb8 Environmental → Water → Surface water EF 3.1 kg 4
253d3f13-c98b-4080-b124-5dc00c3c195e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9372285d8d192ed8",
  "prefLabel": [
    {
      "@value": "N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Naphthalenamine, N-[(1,1,3,3-tetramethylbutyl)phenyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:51772-35-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chicnox L 06",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:51772-35-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irganox L 06",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:51772-35-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(tert-Octylphenyl)-1-naphthylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:51772-35-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(tert-Octylphenyl)-α-naphthylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:51772-35-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-[(1,1,3,3-Tetramethylbutyl)phenyl]-1-naphthalenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:51772-35-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C24H29N"
      ],
      "attested_by": {
        "C24H29N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:40123"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)CC(C)(C)c1ccccc1Nc1cccc2ccccc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SNWVRVDHQRBBFG-UHFFFAOYSA-N",
        "XFDOJPZNTFKNCS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "SNWVRVDHQRBBFG-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "XFDOJPZNTFKNCS-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:40123"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)CC(C)(C)c1ccccc1Nc1cccc2ccccc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)(C)CC(C)(C)c1ccccc1Nc1cccc2ccccc12"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)CC(C)(C)c1ccccc1Nc1cccc2ccccc12"
          ]
        }
      ],
      "attested_by": {
        "CC(C)(C)CC(C)(C)c1ccccc1Nc1cccc2ccccc12": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C24H29N/c1-23(2,3)17-24(4,5)20-14-8-9-15-22(20)25-21-16-10-12-18-11-6-7-13-19(18)21/h6-16,25H,17H2,1-5H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)CC(C)(C)c1ccccc1Nc1cccc2ccccc12"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C24H29N/c1-23(2,3)17-24(4,5)20-14-8-9-15-22(20)25-21-16-10-12-18-11-6-7-13-19(18)21/h6-16,25H,17H2,1-5H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine"
        ]
      },
      "attested_by": {
        "N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "51772-35-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50866219",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:40123;CAS:51772-35-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[51772-35-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/40123",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:40123;CAS:51772-35-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[51772-35-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1865c778-7fda-4aca-8743-6f5a4860c2a9",
    "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": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "51772-35-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=51772-35-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "257-406-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=257-406-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.