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Home Nitriles 1H-Imidazole-1-carbonitrile

1H-Imidazole-1-carbonitrile

CAS No.:
36289-36-8
Catalog Number:
AG00BYSI
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$288
- +
5g
95%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG00BYSI
Chemical Name:
1H-Imidazole-1-carbonitrile
CAS Number:
36289-36-8
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
MDL Number:
MFCD00269955
IUPAC Name:
imidazole-1-carbonitrile
InChI:
InChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H
InChI Key:
SLPWXZZHNSOZPX-UHFFFAOYSA-N
SMILES:
N#Cn1cncc1
UNII:
S26K6QWG5X
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
93.033g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
93.089g/mol
Monoisotopic Mass:
93.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
4-cyanoimidazolate: a new pseudo-cyanide? Inorganic chemistry 20040809
2-pyrazinylnitrene and 4-pyrimidylnitrene. Ring expansion to 1,3,5-triazacyclohepta-1,2,4,6-tetraene and ring opening to (2-Isocyanovinyl)carbodiimide. The Journal of organic chemistry 20021129
Properties