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Allyl Cyanide

Catalog Number
ACM109751-1
CAS Number
109-75-1
Product Name
Allyl Cyanide
Structure
Category
Monomers
Description
Liquid
IUPAC Name
but-3-enenitrile
Molecular Weight
67.09g/mol
Molecular Formula
C4H5N
Canonical SMILES
C=CCC#N
InChI
InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
InChI Key
SJNALLRHIVGIBI-UHFFFAOYSA-N
Boiling Point
119.0 °C
Melting Point
-87.0 °C;-87°C
Complexity
65
Covalently-Bonded Unit Count
1
EC Number
203-701-1
Exact Mass
67.042199g/mol
Formal Charge
0
Heavy Atom Count
5
Log P
0.4 (LogP);0.40
MeSH Entry Terms
3-butenenitrile;allyl cyanide;allylnitrile
Monoisotopic Mass
67.042199g/mol
NSC Number
2583
Rotatable Bond Count
1
UNII
527U1WJJ18
Vapor Pressure
18.48 mmHg
XLogP3
0.4
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