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2-Cyanoethylene oxide

2-Cyanoethylene oxide structure

CAS No:
4538-51-6
Formula:
C3H3NO
Chemical Name:
2-Cyanoethylene oxide
Synonyms:
2-Oxiranecarbonitrile;Glycidonitrile;Oxiranecarbonitrile;Glycidic acid nitrile;Cyanooxirane;2-Cyanoethylene oxide;Cyanoethylene oxide;163490-98-0
Categories:
Organic Chemistry > Heterocyclic Ring

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2-Cyanoethylene oxide Basic Attributes

Molecular Weight：

69.06202

Exact Mass：

69.06

EC Number：

224-887-0

Characteristics

PSA：

36.3

XLogP3：

-0.3

Boiling Point：

47.5-48 °C @ Press: 20 Torr

Drug Information

MeSH：

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)

Metabolism/Metabolites：

Cyanoethylene oxide is a known human metabolite of acrylonitrile.

MeSH Entry Terms：

2-cyanoethylene oxide

2-Cyanoethylene oxide Use and Manufacturing

A putative toxic and carcinogenic metabolite of Acrylonitrile (A191370) that forms phosphodiester adducts by reacting with nucelotides.

Computed Properties

Molecular Weight:69.06
XLogP3:-0.3
Hydrogen Bond Acceptor Count:2
Exact Mass:69.021463719
Monoisotopic Mass:69.021463719
Topological Polar Surface Area:36.3
Heavy Atom Count:5
Complexity:80.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,3-epoxypropiononitrile

CAS No.: 4538-51-6

Grade: Industrial Grade

Content: 99.0%

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