Consensus flow list

Identity

Type
NeutralMolecule
CAS
68479-98-1
EC
270-877-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Diethylmethylbenzenediamine

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BJRWEMVTJBHBFH-UHFFFAOYSA-N, HQCMWRZLSGSQND-UHFFFAOYSA-N, OHJDDRJXKMWSFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H18N2/c1-4-8-6-10(12)11(13)7(3)9(8)5-2/h6H,4-5,12-13H2,1-3H3
IUPAC name chemrof:IUPAC_name Diethylmethylbenzenediamine
Molecular formula chemrof:molecular_formula C10H15N, C11H18N2
SMILES string chemrof:smiles_string CCc1cc(N)c(N)c(C)c1CC

Known URLs

8

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=68479-98-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.064.414 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90860872 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.366.631D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18695160 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22419268 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53890429 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81978016 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7898847e-0417-4b70-8c07-4e8f5c6bdaf8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b2f17a1e-4a7a-4074-8f07-ff03f260a909 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6335e38b-cf3f-4c92-a12a-b53d1cf54f9c Environmental → Air → Indoor EF 3.1 kg 4
9bd4e3f8-b0c4-4f45-ac02-460f6e42927d Environmental → Air → Long-term EF 3.1 kg 0
a2b3541c-8922-4554-bce4-98f1ea3c6831 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
004f4f66-c5c4-452f-a0e0-b3825d6e0c98 Environmental → Air → Unknown EF 3.1 kg 4
7198df9b-f893-4391-8fbe-3dbd659eea13 Environmental → Ground → Agricultural EF 3.1 kg 4
23e1af95-092c-4598-8e2a-7413c427c2b9 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5e4c9ba8-171c-4f91-946f-d4658a7657d8 Environmental → Ground → Unknown EF 3.1 kg 4
560a3c7f-f8e4-4f43-b2d8-eff35ec5dc56 Environmental → Water → Long-term EF 3.1 kg 0
f9415362-264b-4d0f-90a0-b5dc353fb8e4 Environmental → Water → Ocean EF 3.1 kg 4
d8d37276-c764-4dba-baf0-7398d7a07e63 Environmental → Water → Surface water EF 3.1 kg 4
3f43b996-2c7f-4d99-93bb-377e61cf42ac 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-fecd8736145588d7",
  "prefLabel": [
    {
      "@value": "Diethylmethylbenzenediamine",
      "@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": "ar,ar-Diethyl-ar-methylbenzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68479-98-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68479-98-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenediamine, ar,ar-diethyl-ar-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:68479-98-1",
          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C10H15N",
        "C11H18N2"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic"
        ],
        "C11H18N2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "HQCMWRZLSGSQND-UHFFFAOYSA-N",
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      ],
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        ],
        "HQCMWRZLSGSQND-UHFFFAOYSA-N": [
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          "rdkit_post_consensus"
        ],
        "OHJDDRJXKMWSFJ-UHFFFAOYSA-N": [
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCc1cc(N)c(N)c(C)c1CC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H18N2/c1-4-8-6-10(12)11(13)7(3)9(8)5-2/h6H,4-5,12-13H2,1-3H3"
      ],
      "provenance": [
        {
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCc1cc(N)c(N)c(C)c1CC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C11H18N2/c1-4-8-6-10(12)11(13)7(3)9(8)5-2/h6H,4-5,12-13H2,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Diethylmethylbenzenediamine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Diethylmethylbenzenediamine"
        ]
      },
      "attested_by": {
        "Diethylmethylbenzenediamine": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.366.631D",
      "provenance": {
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    {
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      }
    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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    },
    {
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    },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "004f4f66-c5c4-452f-a0e0-b3825d6e0c98",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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      }
    }
  },
  "classifications": {
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        "68479-98-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=68479-98-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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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/NeutralMolecule"
  ]
}

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