2-methylbut-3-enenitrile

2-Methyl-3-butenenitrile
2-Methyl-3-butenonitrile
3-Butenenitrile, 2-methyl-
3-Cyanobut-1-ene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WBAXCOMEMKANRN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3
IUPAC name chemrof:IUPAC_name	2-methylbut-3-enenitrile
Molecular formula chemrof:molecular_formula	C5H7N
Molecular mass chemrof:molecular_mass	81.118
Monoisotopic mass chemrof:monoisotopic_mass	81.057849
SMILES string chemrof:smiles_string	C=CC(C)C#N

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=16529-56-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.036.890	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5025578	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5UB332ATH2	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J102.107I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/27909	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3273	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27894295	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
62809b91-8244-4543-b3c7-c7deb8f1642e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
3f246e13-6972-483a-887d-547fcfb37ba9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
e03b6e87-4355-40a0-a339-95d1c55f09d0	Environmental → Air → Indoor	EF 3.1	kg	2
22ab640e-6c18-4939-b292-1fdc576f2fb6	Environmental → Air → Long-term	EF 3.1	kg	0
62966a7a-40fd-4abf-8ea9-073fb5a45696	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
28be39de-e85b-4417-ae52-1f0c35a5fc3f	Environmental → Air → Unknown	EF 3.1	kg	2
a2fc43ac-22e0-4334-a82d-8e27d3d414ac	Environmental → Ground → Agricultural	EF 3.1	kg	2
a1490206-fc86-4048-82ed-d06151a552a6	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
573efd92-4b8e-4a79-85dd-e73cf6209966	Environmental → Ground → Unknown	EF 3.1	kg	2
57615c9d-f91f-4dee-b5ef-69abd261d19b	Environmental → Water → Long-term	EF 3.1	kg	0
846e753b-d97e-4cee-b7bc-bb29d549f370	Environmental → Water → Ocean	EF 3.1	kg	2
5c68f5e2-60d1-4d0e-81ba-c8831eaf2e0f	Environmental → Water → Surface water	EF 3.1	kg	2
f7cd71c8-fe7a-4812-9f56-f31888e21144	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

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Flow object JSON

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}

2-methylbut-3-enenitrile

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