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1-(2-ethylbutyl)cyclohexanecarbonitrile

fo-b9c50ad2c8e32495

Identity

Type
Neutral molecule
CAS
855425-38-6
EC
619-573-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1-(2-ethylbutyl)cyclohexanecarbonitrile

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DRMOLJPDSCAGCC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H23N/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-10H2,1-2H3
IUPAC name chemrof:IUPAC_name 1-(2-ethylbutyl)cyclohexanecarbonitrile
Molecular formula chemrof:molecular_formula C13H23N
Molecular mass chemrof:molecular_mass 193.334
Monoisotopic mass chemrof:monoisotopic_mass 193.18305
SMILES string chemrof:smiles_string CCC(CC)CC1(C#N)CCCCC1

Known URLs

5

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=855425-38-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.006 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80893871 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/44242684 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81987796 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f8a5ba3c-493e-4460-b70c-8149c3487255 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2daf1901-d56a-4000-a961-371b2cd5098e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
23b9a59b-2906-44a7-9c23-4fbd7a2c529b Environmental → Air → Indoor EF 3.1 kg 2
2a686cba-b6a2-4581-b585-88b24c75e3b7 Environmental → Air → Long-term EF 3.1 kg 0
3c520624-8f58-4468-8069-93ae4ad4ecef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ce26aa3d-e28b-47b0-9f19-9ab530946365 Environmental → Air → Unknown EF 3.1 kg 2
65813c12-4916-4e18-b1d1-73c7f788284b Environmental → Ground → Agricultural EF 3.1 kg 2
2e083ac6-5bfc-4871-994e-c07dbc11d83e Environmental → Ground → Non-agricultural EF 3.1 kg 2
a62f270d-0714-4ec5-ac27-a7afe0f28cae Environmental → Ground → Unknown EF 3.1 kg 2
35d41b16-c9ee-4ce5-afa6-1a547361e34b Environmental → Water → Long-term EF 3.1 kg 0
eff3462b-70c4-4c9b-8386-f04da1767af1 Environmental → Water → Ocean EF 3.1 kg 2
56ef114e-28c9-49a4-ab08-c5aa3876e32b Environmental → Water → Surface water EF 3.1 kg 2
ce7641d5-3ca1-42c6-b06b-a74b45c6994b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b9c50ad2c8e32495",
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    {
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  ],
  "altLabel": [
    {
      "@value": "Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "origin_qualifier": null,
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  "parent_intervention_id": null,
  "@type": [
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  ]
}

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