Consensus flow list

Identity

Type
NeutralMolecule
CAS
10461-98-0
EC
423-740-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-cyclohexylidene-2-phenylacetonitrile

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZHOOOLQOWQVYOE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
IUPAC name chemrof:IUPAC_name 2-cyclohexylidene-2-phenylacetonitrile
Molecular formula chemrof:molecular_formula C14H15N
Molecular mass chemrof:molecular_mass 197.281
Monoisotopic mass chemrof:monoisotopic_mass 197.120449
SMILES string chemrof:smiles_string N#CC(=C1CCCCC1)c1ccccc1

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=10461-98-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.229 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.126.434 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5051527 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=408284 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.470.173E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66327 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81976683 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8472a033-1887-4a4b-8e5c-0006c0a4d43f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
15139185-2d42-43f5-8b90-9bf985641244 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2a666e5a-02b7-4273-bc99-4ffb67f211d2 Environmental → Air → Indoor EF 3.1 kg 2
b49d9e05-2b38-4bdc-95b7-d7071c72bbfc Environmental → Air → Long-term EF 3.1 kg 0
651c4b3c-2f2e-427e-9570-1ef0b74db7c0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
71eef3bf-f0de-4db1-9f3b-62f8f60ed9e2 Environmental → Air → Unknown EF 3.1 kg 2
01922a9e-bbc1-42cb-95d3-77229b2630f6 Environmental → Ground → Agricultural EF 3.1 kg 2
f82d78f7-795b-451a-ab75-3911513ce547 Environmental → Ground → Non-agricultural EF 3.1 kg 2
789e3a26-5eb1-4b2e-98a4-726f36ee9481 Environmental → Ground → Unknown EF 3.1 kg 2
3f3d7ad3-8552-4697-aac8-76a185a980af Environmental → Water → Long-term EF 3.1 kg 0
d0442553-8029-4508-9fcb-6102e302bb6a Environmental → Water → Ocean EF 3.1 kg 2
b537c98e-e3d8-455d-ac91-052b15a924f5 Environmental → Water → Surface water EF 3.1 kg 2
88706b7e-df33-4f8f-8761-1003473e2507 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8512675a72075efb",
  "prefLabel": [
    {
      "@value": "2-cyclohexylidene-2-phenylacetonitrile",
      "@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": "Benzeneacetonitrile, α-cyclohexylidene-",
      "@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=10461-98-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Peonile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Petalia",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Cyclohexylidenebenzeneacetonitrile",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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      }
    },
    {
      "@value": "Δ1,α-Cyclohexaneacetonitrile, α-phenyl-",
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        ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
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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": {
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  "created_from": {
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}

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