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13284-42-9 | 2-PENTENENITRILE
CAS No: 13284-42-9 Catalog No: AG00119I MDL No:MFCD00001936
Product Description
Catalog Number:
AG00119I
Chemical Name:
2-PENTENENITRILE
CAS Number:
13284-42-9
Molecular Formula:
C5H7N
Molecular Weight:
81.1158
MDL Number:
MFCD00001936
IUPAC Name:
(E)-pent-2-enenitrile
InChI:
InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+
InChI Key:
ISBHMJZRKAFTGE-ONEGZZNKSA-N
SMILES:
CCC=CC#N
UNII:
1VA047EULA
UN Number:
3275
Properties
Complexity:
83.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
81.058g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
81.118g/mol
Monoisotopic Mass:
81.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Vestibular toxicity of cis-2-pentenenitrile in the rat. | Toxicology letters 20120620 |
| Role of CYP2E1-mediated metabolism in the acute and vestibular toxicities of nineteen nitriles in the mouse. | Toxicology letters 20120125 |
| Oral toxicity study of 2-pentenenitrile in rats with reproductive toxicity screening test. | Drug and chemical toxicology 20060101 |
| Effects of aliphatic nitriles in micromass cultures of rat embryo limb bud cells. | Toxicology in vitro : an international journal published in association with BIBRA 20040601 |
| The ototoxic effects induced in rats by treatment for 12 weeks with 2-butenenitrile, 3-butenenitrile and cis-2-pentenenitrile. | Pharmacology & toxicology 20010301 |
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