2,2-dimethyl-4-phenylpentanenitrile

2,2,4-Trimethyl-4-phenylbutanenitrile
2,2-Dimethyl-4-phenyl-valeronitrile
Benzenebutanenitrile, α,α,γ-trimethyl-
Valeronitrile, 2,2-dimethyl-4-phenyl-
α,α,γ-Trimethylbenzenebutanenitrile

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GWCCFAFCQHECBM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H17N/c1-11(9-13(2,3)10-14)12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3
IUPAC name chemrof:IUPAC_name	2,2-dimethyl-4-phenylpentanenitrile
Molecular formula chemrof:molecular_formula	C13H17N
Molecular mass chemrof:molecular_mass	187.286
Monoisotopic mass chemrof:monoisotopic_mass	187.1361
SMILES string chemrof:smiles_string	CC(CC(C)(C)C#N)c1ccccc1

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=75490-39-0	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.102.115	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.110.574	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2052499	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.781.964F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/156605	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81985114	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
48efc8b2-76a3-4ab2-a775-a8b0fbb53243	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
1aa508f9-5b11-42f8-b5ae-ff45cd7f92e7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
57ba776e-a489-4b6c-b35a-abf27bf0761a	Environmental → Air → Indoor	EF 3.1	kg	2
aa20d2a7-7165-454f-8648-1513714e2bd2	Environmental → Air → Long-term	EF 3.1	kg	0
23931619-544d-4773-a703-4c400f4ce94f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
b6986af8-bc07-4390-9188-9e5b504e46c5	Environmental → Air → Unknown	EF 3.1	kg	2
6da18d7b-1aec-449a-b467-50b3468c7baf	Environmental → Ground → Agricultural	EF 3.1	kg	2
cbf1f374-2a5d-42e2-9616-c0c9005471b7	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4a8f879c-78fc-4806-896d-1fc013be1ad0	Environmental → Ground → Unknown	EF 3.1	kg	2
89401e07-234b-4ec1-83a5-9188951913f7	Environmental → Water → Long-term	EF 3.1	kg	0
2827cdcd-9ea0-47b8-aaa9-b50a5b2ab763	Environmental → Water → Ocean	EF 3.1	kg	2
df093d2d-5564-4999-bbf9-72e5a663b55d	Environmental → Water → Surface water	EF 3.1	kg	2
0187bd7f-539e-42ec-a58d-bab09f55b5f0	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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2,2-dimethyl-4-phenylpentanenitrile

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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