Home Nitriles 2-(1H-Imidazol-1-yl)acetonitrile

2-(1H-Imidazol-1-yl)acetonitrile

CAS No.:
98873-55-3
Catalog Number:
AG00IK6H
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00IK6H
Chemical Name:
2-(1H-Imidazol-1-yl)acetonitrile
CAS Number:
98873-55-3
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD06421433
IUPAC Name:
2-imidazol-1-ylacetonitrile
InChI:
InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2
InChI Key:
ZPGCVVBPGQJSPX-UHFFFAOYSA-N
SMILES:
N#CCn1cncc1
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties