4,4'-methylenebis(2,6-dimethylaniline)

2,6-Xylidine, 4,4′-methylenedi-
3,3′,5,5′-Tetramethyl-4,4′-diaminodiphenylmethane
3,3′,5,5′-Tetramethyl-4,4′-methylene dianiline
4,4′-Methylenebis(2,6-dimethylaniline)
4,4′-Methylenebis(2,6-xylidine)
4,4′-Methylenebis[2,6-dimethylbenzenamine]
4,4′-Methylenedi-2,6-xylidine
Benzenamine, 4,4′-methylenebis[2,6-dimethyl-
Bis(4-amino-3,5-dimethylphenyl)methane
Kayabond C 200
Kayabond C 200S
TEDDM

Property	Value
InChI2D key string chemrof:inchi2d_key_string	OMHOXRVODFQGCA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3
IUPAC name chemrof:IUPAC_name	4,4'-methylenebis(2,6-dimethylaniline)
Molecular formula chemrof:molecular_formula	C17H22N2
Molecular mass chemrof:molecular_mass	254.377
Monoisotopic mass chemrof:monoisotopic_mass	254.178299
SMILES string chemrof:smiles_string	Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N

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=4073-98-7	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.021.625	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID90193713	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KZX9T33K7F	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.882F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/77690	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72490402	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a7d4b7d1-c3b1-4743-9dfd-4de78dcff264	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
1ccc1448-817c-4abf-93e7-1caeadfea959	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
4c2d80b7-f61e-48bc-b024-0f56a2ebce71	Environmental → Air → Indoor	EF 3.1	kg	2
c7056633-c458-4b7d-9edf-fd524d18aa6c	Environmental → Air → Long-term	EF 3.1	kg	0
ca779ee4-a206-4af2-9b49-55571a797789	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
656d55be-0078-447d-ae19-f60c20dcdab7	Environmental → Air → Unknown	EF 3.1	kg	2
faf9484c-f1d3-4812-a901-c7f602b9c711	Environmental → Ground → Agricultural	EF 3.1	kg	2
4ae77576-5c2f-4429-838d-0afdd6196893	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c026bb02-e807-4721-8201-a925474fb26c	Environmental → Ground → Unknown	EF 3.1	kg	2
9be5da23-afce-4f12-9136-853bfcb0f7f7	Environmental → Water → Long-term	EF 3.1	kg	0
7ed632d4-197e-4226-b4aa-1b37b556cdba	Environmental → Water → Ocean	EF 3.1	kg	2
3edebc01-a054-403e-b5f2-e46cc362ff7d	Environmental → Water → Surface water	EF 3.1	kg	2
f41a1b78-46b4-4e96-a504-1cd5642ad67a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-b280b899d307a95f",
  "prefLabel": [
    {
      "@value": "4,4'-methylenebis(2,6-dimethylaniline)",
      "@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": "2,6-Xylidine, 4,4′-methylenedi-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′,5,5′-Tetramethyl-4,4′-diaminodiphenylmethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′,5,5′-Tetramethyl-4,4′-methylene dianiline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenebis(2,6-dimethylaniline)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenebis(2,6-xylidine)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenebis[2,6-dimethylbenzenamine]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenedi-2,6-xylidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4,4′-methylenebis[2,6-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(4-amino-3,5-dimethylphenyl)methane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kayabond C 200",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kayabond C 200S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TEDDM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4073-98-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H22N2"
      ],
      "attested_by": {
        "C17H22N2": [
          "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:77690"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OMHOXRVODFQGCA-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "OMHOXRVODFQGCA-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:77690"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,4'-methylenebis(2,6-dimethylaniline)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N"
          ]
        }
      ],
      "attested_by": {
        "Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,4'-methylenebis(2,6-dimethylaniline)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4,4'-methylenebis(2,6-dimethylaniline)"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4,4'-methylenebis(2,6-dimethylaniline)"
        ]
      },
      "attested_by": {
        "4,4'-methylenebis(2,6-dimethylaniline)": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        254.377
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=CC(=C1N)C)CC2=CC(=C(C(=C2)C)N)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N"
          ]
        }
      ],
      "attested_by": {
        "254.377": [
          "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": [
        254.178299
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CC(=CC(=C1N)C)CC2=CC(=C(C(=C2)C)N)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N"
          ]
        }
      ],
      "attested_by": {
        "254.178299": [
          "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=J217.882F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:77690;CAS:4073-98-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4073-98-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.021.625",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:77690;CAS:4073-98-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4073-98-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:77690;CAS:4073-98-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4073-98-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90193713",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:77690;CAS:4073-98-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4073-98-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KZX9T33K7F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:77690;CAS:4073-98-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4073-98-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/77690",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:77690;CAS:4073-98-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[4073-98-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72490402",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:77690;CAS:4073-98-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4073-98-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1ccc1448-817c-4abf-93e7-1caeadfea959",
    "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": [
        "4073-98-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=4073-98-7"
        }
      ],
      "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": [
        "223-786-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=223-786-9"
      ],
      "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"
  ]
}

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

4,4'-methylenebis(2,6-dimethylaniline)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard