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Details

Stereochemistry ACHIRAL
Molecular Formula C5H7N
Molecular Weight 81.1158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-PENTENENITRILE, (2E)-

SMILES

CC\C=C\C#N

InChI

InChIKey=ISBHMJZRKAFTGE-ONEGZZNKSA-N
InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+

HIDE SMILES / InChI

Molecular Formula C5H7N
Molecular Weight 81.1158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
The ototoxic effects induced in rats by treatment for 12 weeks with 2-butenenitrile, 3-butenenitrile and cis-2-pentenenitrile.
2001 Mar
Effects of aliphatic nitriles in micromass cultures of rat embryo limb bud cells.
2004 Jun
Oral toxicity study of 2-pentenenitrile in rats with reproductive toxicity screening test.
2006
Nonadiabatic excited-state dynamics of polar pi-systems and related model compounds of biological relevance.
2008 Jan 28
Nonadiabatic excited-state dynamics with hybrid ab initio quantum-mechanical/molecular-mechanical methods: solvation of the pentadieniminium cation in apolar media.
2010 Jul 1
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:31:47 GMT 2023
Edited
by admin
on Fri Dec 15 18:31:47 GMT 2023
Record UNII
1VA047EULA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PENTENENITRILE, (2E)-
Systematic Name English
TRANS-1-BUTENYL CYANIDE
Systematic Name English
2-PENTENENITRILE, TRANS-
Systematic Name English
Code System Code Type Description
CAS
26294-98-4
Created by admin on Fri Dec 15 18:31:47 GMT 2023 , Edited by admin on Fri Dec 15 18:31:47 GMT 2023
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PUBCHEM
5364360
Created by admin on Fri Dec 15 18:31:47 GMT 2023 , Edited by admin on Fri Dec 15 18:31:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
247-593-4
Created by admin on Fri Dec 15 18:31:47 GMT 2023 , Edited by admin on Fri Dec 15 18:31:47 GMT 2023
PRIMARY
FDA UNII
1VA047EULA
Created by admin on Fri Dec 15 18:31:47 GMT 2023 , Edited by admin on Fri Dec 15 18:31:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID6027894
Created by admin on Fri Dec 15 18:31:47 GMT 2023 , Edited by admin on Fri Dec 15 18:31:47 GMT 2023
PRIMARY