Consensus flow list

3-[c10-(branched)-alkyloxy]propanenitrile

fo-5cdfe22649a90720

Identity

Type
Neutral molecule
CAS
64354-92-3
EC
264-840-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3-[c10-(branched)-alkyloxy]propanenitrile

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XDCQMQXLBGPTHH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H25NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-9,11-12H2,1-2H3
IUPAC name chemrof:IUPAC_name 3-(Isodecyloxy)propanenitrile
Molecular formula chemrof:molecular_formula C13H25NO
Molecular mass chemrof:molecular_mass 211.349
Monoisotopic mass chemrof:monoisotopic_mass 211.193614
SMILES string chemrof:smiles_string CC(C)CCCCCCCOCCC#N

Known URLs

7

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=64354-92-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.058.927 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20988250 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3854CD4UX4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J307.213D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/110608 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27256744 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
22857fbc-d8d6-4bf6-a39d-92007ee066cc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0346db4d-b030-46d7-ba7d-645a62cfcafe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ff373823-9f13-47a0-a9ac-412d421394c7 Environmental → Air → Indoor EF 3.1 kg 2
dd034b82-abcf-43a0-b64d-eb4eb163fb06 Environmental → Air → Long-term EF 3.1 kg 0
b0460d58-a9e5-48d0-998b-da07ec55757a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e4a966c4-1f2f-4f55-8f8d-668f150945c0 Environmental → Air → Unknown EF 3.1 kg 2
b84ea25e-442b-48bd-887c-2c68f442e2d4 Environmental → Ground → Agricultural EF 3.1 kg 2
855f2661-2a01-4a3d-9cd3-1d3bf67094a0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d9cb03f3-7ce5-4705-ad7c-8d94b29d6143 Environmental → Ground → Unknown EF 3.1 kg 2
b68b8a5a-f892-49b4-b8fc-d459c7bbc28f Environmental → Water → Long-term EF 3.1 kg 0
35cd4b4d-5a21-4cc4-aa2f-6c2e8780b8e1 Environmental → Water → Ocean EF 3.1 kg 2
a623eea9-f3a8-47a5-ba63-d71b64ba8132 Environmental → Water → Surface water EF 3.1 kg 2
d045cbd1-5f59-451e-a7f1-3a2f32351eef 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 
{
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    {
      "@value": "3-[c10-(branched)-alkyloxy]propanenitrile",
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  ],
  "altLabel": [
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      }
    },
    {
      "@value": "Propanenitrile, 3-(isodecyloxy)-",
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  "properties": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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}

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