Consensus flow list

Identity

Type
Neutral molecule
CAS
173904-11-5
EC
619-764-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n’-[cyclohexane-1,3-diylbis(methylene)]bis(2-methylpropan-1-imine)

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JUBKHAAUFRURMO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H30N2/c1-13(2)9-17-11-15-6-5-7-16(8-15)12-18-10-14(3)4/h9-10,13-16H,5-8,11-12H2,1-4H3
IUPAC name chemrof:IUPAC_name 1,3-Cyclohexanedimethanamine, N,N′-bis(2-methylpropylidene)-
Molecular formula chemrof:molecular_formula C16H30N2
Molecular mass chemrof:molecular_mass 250.43
Monoisotopic mass chemrof:monoisotopic_mass 250.240899
SMILES string chemrof:smiles_string CC(C)C=NCC1CCCC(CN=CC(C)C)C1

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=173904-11-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.131.026 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50893363 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.790.736G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/132472057 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81982538 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4847dacc-3a79-4959-8946-01f5c1c56840 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
71d1e2f6-cc33-4c0b-a60d-7a94beb8f7dc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
06c1cd1d-e995-4d85-8032-25ad51465de9 Environmental → Air → Indoor EF 3.1 kg 4
c78c1cc9-7835-408c-a0c6-a06ffbf8d134 Environmental → Air → Long-term EF 3.1 kg 0
83ccd083-f04f-4ddd-ad37-8c9ba177a9d0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
81f4b6bd-ebf7-4edd-baef-c3cf58e3ef5b Environmental → Air → Unknown EF 3.1 kg 4
66d483e4-84c8-4e55-a665-0cc136d75a96 Environmental → Ground → Agricultural EF 3.1 kg 4
d22a95ed-5e48-4839-bbfb-7f24cb9e35d5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d4cf68f8-cf63-4a8f-803c-861cba65a1f5 Environmental → Ground → Unknown EF 3.1 kg 4
210c42e2-c938-42a8-bd18-3be49b49e13f Environmental → Water → Long-term EF 3.1 kg 0
b96aed0e-2f0a-4bfb-ad9c-cbf2936fc4ba Environmental → Water → Ocean EF 3.1 kg 4
8619b5a6-9a06-43c3-8621-c67b573ff7a0 Environmental → Water → Surface water EF 3.1 kg 4
c4aa5414-ad57-48ff-bb21-961312c793fe 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-293acdf8c78598c3",
  "prefLabel": [
    {
      "@value": "N,n’-[cyclohexane-1,3-diylbis(methylene)]bis(2-methylpropan-1-imine)",
      "@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-Cyclohexanedimethanamine, N,N′-bis(2-methylpropylidene)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:173904-11-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=173904-11-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Cyclohexanedimethanamine, N1,N3-bis(2-methylpropylidene)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=173904-11-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1,N3-Bis(2-methylpropylidene)-1,3-cyclohexanedimethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H30N2"
      ],
      "attested_by": {
        "C16H30N2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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        },
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        "CC(C)C=NCC1CCCC(CN=CC(C)C)C1"
      ],
      "provenance": [
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          ]
        },
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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      ],
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        },
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      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "250.43": [
          "rdkit_post_consensus",
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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": [
        250.240899
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "06c1cd1d-e995-4d85-8032-25ad51465de9",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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