Consensus flow list

Identity

Type
Molecular complex
CAS
28390-91-2
EC
500-062-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SJTMPJRVNLHXHD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H14N2.C3H5ClO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;4-1-3-2-5-3/h1-8H,9,14-15H2;3H,1-2H2
IUPAC name chemrof:IUPAC_name 4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane
Molecular formula chemrof:molecular_formula C16H19ClN2O
Molecular mass chemrof:molecular_mass 290.794
Monoisotopic mass chemrof:monoisotopic_mass 290.118591
SMILES string chemrof:smiles_string ClCC1CO1.Nc1ccc(Cc2ccc(N)cc2)cc1

Known URLs

2

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=28390-91-2 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/161601 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
75883c67-2c9a-49c9-9c0f-fb3cb003051c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
46a46c71-4e4c-4426-a377-ea5c110302eb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
83d4437f-6989-4158-9810-2ed37b4b94b2 Environmental → Air → Indoor EF 3.1 kg 4
38e0c772-a6a1-4cda-b4a5-6f32a8943ea5 Environmental → Air → Long-term EF 3.1 kg 0
8fb9588f-f31e-4a36-a29a-123b915d6575 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0458ceaf-efc3-4f69-8be0-162cdce5758c Environmental → Air → Unknown EF 3.1 kg 4
7326c05d-646c-4950-852c-e07a03b1b096 Environmental → Ground → Agricultural EF 3.1 kg 4
928ea3b2-f357-43eb-ac4f-42d4b5fa8b5a Environmental → Ground → Non-agricultural EF 3.1 kg 4
63cdd8fa-8d31-425f-9633-4c01141f916b Environmental → Ground → Unknown EF 3.1 kg 4
11887bdd-b31d-4067-85de-250983ffbadd Environmental → Water → Long-term EF 3.1 kg 0
7cac0ab2-c9c2-4ff5-9d4f-af3ad64788cc Environmental → Water → Ocean EF 3.1 kg 4
513270d5-d243-4940-82ad-527aa800c7fd Environmental → Water → Surface water EF 3.1 kg 4
b1d0ff6d-0802-47a1-bcb0-dc2e74de1c45 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-065a8d50fd52e568",
  "prefLabel": [
    {
      "@value": "4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane",
      "@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": "4,4′-Diaminodiphenylmethane-epichlorohydrin copolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28390-91-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Diaminodiphenylmethane-epichlorohydrin polymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28390-91-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4,4′-methylenebis-, polymer with (chloromethyl)oxirane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28390-91-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4,4′-methylenebis-, polymer with 2-(chloromethyl)oxirane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28390-91-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(4-aminophenyl)methane-epichlorohydrin copolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diaminodiphenylmethane-epichlorohydrin copolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epichlorohydrin-4,4′-methylenedianiline copolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epichlorohydrin-methylenedianiline copolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:28390-91-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxirane, (chloromethyl)-, polymer with 4,4′-methylenebis[benzenamine]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H19ClN2O"
      ],
      "attested_by": {
        "C16H19ClN2O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ClCC1CO1.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SJTMPJRVNLHXHD-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "SJTMPJRVNLHXHD-UHFFFAOYSA-N": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ClCC1CO1.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "ClCC1CO1.Nc1ccc(Cc2ccc(N)cc2)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ClCC1CO1.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "ClCC1CO1.Nc1ccc(Cc2ccc(N)cc2)cc1": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C13H14N2.C3H5ClO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;4-1-3-2-5-3/h1-8H,9,14-15H2;3H,1-2H2"
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ClCC1CO1.Nc1ccc(Cc2ccc(N)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C13H14N2.C3H5ClO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;4-1-3-2-5-3/h1-8H,9,14-15H2;3H,1-2H2": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane"
      ],
      "provenance": {
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        ]
      },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
        290.794
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1C(O1)CCl.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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        }
      ],
      "attested_by": {
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      },
      "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": [
        290.118591
      ],
      "provenance": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "290.118591": [
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=28390-91-2",
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        "prov:wasDerivedFrom": "pubchem.by_cas[28390-91-2]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0458ceaf-efc3-4f69-8be0-162cdce5758c",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
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      }
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  },
  "classifications": {
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      ],
      "rdfs:seeAlso": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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