Consensus flow list

Identity

Type
Neutral molecule
CAS
51566-62-2
EC
257-288-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3,7-dimethyloct-6-enenitrile

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MTDAKBBUYMYKAR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3
IUPAC name chemrof:IUPAC_name 3,7-dimethyloct-6-enenitrile
Molecular formula chemrof:molecular_formula C10H17N
Molecular mass chemrof:molecular_mass 151.253
Monoisotopic mass chemrof:monoisotopic_mass 151.1361
SMILES string chemrof:smiles_string CC(C)=CCCC(C)CC#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=51566-62-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.052.063 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7052155 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GP9AT16H16 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J65.659C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3033030 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q29032734 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
26358804-35f9-43b3-9846-8ac99c215d5b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
18433382-fd95-47ed-9405-e9dfe7b3675b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6ef794e0-1cd8-4466-aa91-dce909df465a Environmental → Air → Indoor EF 3.1 kg 4
e346fe80-6d30-43e1-85c4-ccd2691ad1c5 Environmental → Air → Long-term EF 3.1 kg 0
0f5ed88b-c601-4efa-a8cd-d382563c40b2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
68b9b00b-cf82-4799-9eed-ad2e5639b998 Environmental → Air → Unknown EF 3.1 kg 4
8bf8ff88-87fe-4ded-81af-32d9f6668daa Environmental → Ground → Agricultural EF 3.1 kg 4
a6605b81-62ab-4125-9bdb-50b9a4764193 Environmental → Ground → Non-agricultural EF 3.1 kg 4
66311d40-8f5e-4d2e-a637-8fde79d4f63e Environmental → Ground → Unknown EF 3.1 kg 4
164e863e-b26e-4fab-a183-47bf80e3390a Environmental → Water → Long-term EF 3.1 kg 0
8c9540f0-bb29-4a53-ab29-8e3837dd7ad7 Environmental → Water → Ocean EF 3.1 kg 4
bcef577b-0781-42b6-9b60-376f19699f51 Environmental → Water → Surface water EF 3.1 kg 4
a55fd713-6585-4e13-b8e0-fb7f1cb45454 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2025c5a936970101",
  "prefLabel": [
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      "@value": "3,7-dimethyloct-6-enenitrile",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,7-Dimethyl-6-octenenitrile",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,7-Dimethyl-6-octenonitrile",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Octenenitrile, 3,7-dimethyl-",
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        ],
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      }
    },
    {
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    },
    {
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    },
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    },
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}

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