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1190-76-7 | 2-Butenenitrile, (2Z)- (9CI)
CAS No: 1190-76-7 Catalog No: AG000P1J MDL No:
Product Description
Catalog Number:
AG000P1J
Chemical Name:
2-Butenenitrile, (2Z)- (9CI)
CAS Number:
1190-76-7
Molecular Formula:
C4H5N
Molecular Weight:
67.0892
IUPAC Name:
(Z)-but-2-enenitrile
InChI:
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-
InChI Key:
NKKMVIVFRUYPLQ-IHWYPQMZSA-N
SMILES:
C/C=C\C#N
EC Number:
225-335-1
NSC Number:
165574
UN Number:
2924
Properties
Complexity:
72.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
67.042g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
67.091g/mol
Monoisotopic Mass:
67.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| A new unifying hypothesis for lathyrism, konzo and tropical ataxic neuropathy: nitriles are the causative agents. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20110301 |
| Butenenitriles have low axonopathic potential in the rat. | Toxicology letters 20110205 |
| The reaction of beta-amino-alpha,gamma-dicyanocrotononitrile with acetophenone: synthesis of pyridine, pyridazine and thiophene derivatives with antimicrobial activities. | Acta pharmaceutica (Zagreb, Croatia) 20081201 |
| Oxidation of primary alcohols to methyl esters by hydrogen transfer. | Chemical communications (Cambridge, England) 20080207 |
| Differential role of CYP2E1-mediated metabolism in the lethal and vestibulotoxic effects of cis-crotononitrile in the mouse. | Toxicology and applied pharmacology 20071215 |
| Behavioral disturbances and hair cell loss in the inner ear following nitrile exposure in mice, guinea pigs, and frogs. | Toxicological sciences : an official journal of the Society of Toxicology 20070301 |
| Differential effects of trans-crotononitrile and 3-acetylpyridine on inferior olive integrity and behavioural performance in the rat. | The European journal of neuroscience 20050801 |
| Exploring the boundaries of a light-driven molecular motor design: new sterically overcrowded alkenes with preferred direction of rotation. | Organic & biomolecular chemistry 20040521 |
| Comparison of cis- and trans-crotononitrile effects in the rat reveals specificity in the neurotoxic properties of nitrile isomers. | Toxicology and applied pharmacology 20030301 |
| 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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