Consensus flow list

Identity

Type
NeutralMolecule
CAS
33329-35-0
EC
251-459-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,3-propanediamine, N1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DTKANQSCBACEPK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3
IUPAC name chemrof:IUPAC_name 1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-
Molecular formula chemrof:molecular_formula C15H36N4
Molecular mass chemrof:molecular_mass 272.481
Monoisotopic mass chemrof:monoisotopic_mass 272.293997
SMILES string chemrof:smiles_string CN(C)CCCN(CCCN(C)C)CCCN(C)C

Known URLs

6

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=33329-35-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.766 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5052703 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.098J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/118456 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72445170 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
55fcff28-1029-4f39-9198-791baefe9b85 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cfe80991-2735-406a-8f70-998702bacad7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e29bd849-59db-4e91-a1dc-046628967368 Environmental → Air → Indoor EF 3.1 kg 4
4cd6cfc0-32ac-4f15-b79e-a3effca845dc Environmental → Air → Long-term EF 3.1 kg 0
36fd3e96-6785-4e15-83ab-bbeb525795c5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c633e3f4-2a9f-4fae-906c-fc2f22d8494b Environmental → Air → Unknown EF 3.1 kg 4
fdc242bf-da97-438d-92dc-8cbd60451d95 Environmental → Ground → Agricultural EF 3.1 kg 4
6498f77f-7b9f-4315-ac7b-54af21bd79c0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6d7a2ad0-d030-41b7-b920-d489a8b000c6 Environmental → Ground → Unknown EF 3.1 kg 4
d3fccb7c-e890-45ce-910e-4be5675b89c1 Environmental → Water → Long-term EF 3.1 kg 0
358d4ccf-f4eb-4461-bdb9-b6f98f26341f Environmental → Water → Ocean EF 3.1 kg 4
02177fc4-1a4a-494e-9309-44b7af282562 Environmental → Water → Surface water EF 3.1 kg 4
d67f66e5-63b6-42cf-98ba-9c3decaf5fb1 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-1c5ea1388e5639f2",
  "prefLabel": [
    {
      "@value": "1,3-propanediamine, N1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-",
      "@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": "1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediamine, N1,N1-bis[3-(dimethylamino)propyl]-N3,N3-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jeffadd MW 760",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jeffcat Z 80",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1,N1-Bis[3-(dimethylamino)propyl]-N3,N3-dimethyl-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polycat 34",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tripropylamine, 3,3′,3′′-tris(dimethylamino)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(N,N-dimethylaminopropyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris[3-(Dimethylamino)propyl]amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:33329-35-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H36N4"
      ],
      "attested_by": {
        "C15H36N4": [
          "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:118456"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DTKANQSCBACEPK-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "DTKANQSCBACEPK-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:118456"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
          ]
        }
      ],
      "attested_by": {
        "CN(C)CCCN(CCCN(C)C)CCCN(C)C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-"
        ]
      },
      "attested_by": {
        "1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        272.481
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
          ]
        }
      ],
      "attested_by": {
        "272.481": [
          "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": [
        272.293997
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCCN(CCCN(C)C)CCCN(C)C"
          ]
        }
      ],
      "attested_by": {
        "272.293997": [
          "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=J40.098J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:118456;CAS:33329-35-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[33329-35-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.046.766",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:118456;CAS:33329-35-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[33329-35-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "33329-35-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5052703",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:118456;CAS:33329-35-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[33329-35-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/118456",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:118456;CAS:33329-35-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[33329-35-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72445170",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:118456;CAS:33329-35-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[33329-35-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "02177fc4-1a4a-494e-9309-44b7af282562",
    "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": [
        "33329-35-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
        }
      ],
      "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": [
        "251-459-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=251-459-0"
      ],
      "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.