3(or 4)-methylbenzene-1,2-diamine

1,2-Benzenediamine, ar-methyl-
ar-Methyl-1,2-benzenediamine
Methyl-1,2-benzenediamine
Methyl-o-phenylenediamine
o-Tolylenediamine

Property	Value
InChI2D key string chemrof:inchi2d_key_string	IJIFOQILLRKGGS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/2C7H10N2/c1-5-2-3-6(8)7(9)4-5;1-5-3-2-4-6(8)7(5)9/h2*2-4H,8-9H2,1H3
IUPAC name chemrof:IUPAC_name	(2-amino-3-methyl-phenyl)amine;(2-amino-4-methyl-phenyl)amine, 3-methylbenzene-1,2-diamine;4-methylbenzene-1,2-diamine
Molecular formula chemrof:molecular_formula	C14H20N4
Molecular mass chemrof:molecular_mass	244.342
Monoisotopic mass chemrof:monoisotopic_mass	244.168797
SMILES string chemrof:smiles_string	CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N

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=26966-75-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.043.754	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/16207119	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
d0682f00-57bf-4246-868c-ac75ee7bc4c4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
61ac5206-3354-433a-b312-7e231e8a92c8	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
b16b9e77-44d7-45f0-9b68-9ff6c1c0499e	Environmental → Air → Indoor	EF 3.1	kg	4
56806371-5ae1-44c7-8ffb-fe23ccc37d62	Environmental → Air → Long-term	EF 3.1	kg	0
30f87233-7843-46bc-99f3-5e438db0077f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
76436918-7599-4148-bd3a-25dfe332878f	Environmental → Air → Unknown	EF 3.1	kg	4
b864dba4-422a-417f-bb01-10a0db570614	Environmental → Ground → Agricultural	EF 3.1	kg	4
208d8fa9-93d6-40f1-9923-dd52e10d9b1e	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
436a7d9a-b63d-4bd4-96ac-de6e31279d84	Environmental → Ground → Unknown	EF 3.1	kg	4
c5bbc36b-eb65-4617-a335-b08aa9c892c5	Environmental → Water → Long-term	EF 3.1	kg	0
aa41d95e-2577-452a-a225-41ae35b77132	Environmental → Water → Ocean	EF 3.1	kg	4
28043b0f-7d00-4443-8c4c-e5934e4876a1	Environmental → Water → Surface water	EF 3.1	kg	4
581605c8-8593-4357-a331-cbf6805d3580	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-68821b793cece237",
  "prefLabel": [
    {
      "@value": "3(or 4)-methylbenzene-1,2-diamine",
      "@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": "1,2-Benzenediamine, ar-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26966-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26966-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ar-Methyl-1,2-benzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26966-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26966-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl-1,2-benzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26966-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26966-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl-o-phenylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26966-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26966-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Tolylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26966-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26966-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H20N4"
      ],
      "attested_by": {
        "C14H20N4": [
          "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:16207119"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IJIFOQILLRKGGS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "IJIFOQILLRKGGS-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:16207119"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
      ],
      "attested_by": {
        "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16207119"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/2C7H10N2/c1-5-2-3-6(8)7(9)4-5;1-5-3-2-4-6(8)7(5)9/h2*2-4H,8-9H2,1H3"
      ],
      "attested_by": {
        "InChI=1S/2C7H10N2/c1-5-2-3-6(8)7(9)4-5;1-5-3-2-4-6(8)7(5)9/h2*2-4H,8-9H2,1H3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16207119"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2-amino-3-methyl-phenyl)amine;(2-amino-4-methyl-phenyl)amine",
        "3-methylbenzene-1,2-diamine;4-methylbenzene-1,2-diamine"
      ],
      "attested_by": {
        "(2-amino-3-methyl-phenyl)amine;(2-amino-4-methyl-phenyl)amine": [
          "enrich_references.pubchem_semantic"
        ],
        "3-methylbenzene-1,2-diamine;4-methylbenzene-1,2-diamine": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16207119"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        244.342
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
          ]
        }
      ],
      "attested_by": {
        "244.342": [
          "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": [
        244.168797
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)N)N.CC1=C(C(=CC=C1)N)N"
          ]
        }
      ],
      "attested_by": {
        "244.168797": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.043.754",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16207119;CAS:26966-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26966-75-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=26966-75-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "26966-75-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16207119",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16207119;CAS:26966-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[26966-75-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "208d8fa9-93d6-40f1-9923-dd52e10d9b1e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "26966-75-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=26966-75-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=26966-75-6"
        }
      ],
      "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": [
        "248-145-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=248-145-0"
      ],
      "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/MolecularComplex"
  ]
}

3(or 4)-methylbenzene-1,2-diamine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard