Consensus flow list

Identity

Type
Neutral molecule
CAS
4553-62-2
EC
224-923-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-methylpentanedinitrile

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FPPLREPCQJZDAQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name 2-methylpentanedinitrile
Molecular formula chemrof:molecular_formula C6H8N2
Molecular mass chemrof:molecular_mass 108.144
Monoisotopic mass chemrof:monoisotopic_mass 108.068748
SMILES string chemrof:smiles_string CC(C#N)CCC#N

Known URLs

12

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=28906-50-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=4553-62-2 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:229318 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.658 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4025612 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1414319 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EJX3MSL725 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.515G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20686 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3276 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q25385993 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Methylglutaronitrile enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b3b1d89c-3b2f-466f-9422-d9c4b0011b9b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c88917b1-10ef-4b1e-95aa-1cb37bb99c13 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
aac075f2-b0a2-4179-bcd0-0acf4f0f3543 Environmental → Air → Indoor EF 3.1 kg 4
33445aa0-51ed-408b-83ef-7b15509a0517 Environmental → Air → Long-term EF 3.1 kg 0
78258807-f84b-4062-93b8-d46272f677cb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a14735d6-029f-4e4b-8a09-0e1888f1d523 Environmental → Air → Unknown EF 3.1 kg 4
28b92f39-1ead-419f-a327-81f8937cf7c3 Environmental → Ground → Agricultural EF 3.1 kg 4
a84edb58-152e-41e3-adb0-48f771469a83 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e9bdf726-6113-43c0-9f32-e565c500832e Environmental → Ground → Unknown EF 3.1 kg 4
e082fe3e-12ab-4eda-92bf-31539e8404aa Environmental → Water → Long-term EF 3.1 kg 0
a2467dba-70fe-4bde-8c7b-5fc1669e1c6e Environmental → Water → Ocean EF 3.1 kg 4
e5b40bf8-4360-4366-ba0f-6abac5a1c754 Environmental → Water → Surface water EF 3.1 kg 4
dfc65408-6603-4ac4-8a06-eefafe6ef75d 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-83b79df47ff94195",
  "prefLabel": [
    {
      "@value": "2-methylpentanedinitrile",
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  "altLabel": [
    {
      "@value": "1,3-Dicyanobutane",
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    },
    {
      "@value": "2,4-Dicyanobutane",
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    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diacrylonitrile",
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    },
    {
      "@value": "Dytek MGN",
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    },
    {
      "@value": "Glutaronitrile, 2-methyl-",
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    },
    {
      "@value": "Pentanedinitrile, 2-methyl-",
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      }
    },
    {
      "@value": "α-Methylglutarodinitrile",
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}

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