Home Nitriles 1H-Imidazole-4-carbonitrile

1H-Imidazole-4-carbonitrile

CAS No.:
57090-88-7
Catalog Number:
AG0037LF
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
10g
98%
In Stock USA
United States
$263
- +
25g
98%
In Stock USA
United States
$457
- +
100g
98%
In Stock USA
United States
$1575
- +
Product Description
Catalog Number:
AG0037LF
Chemical Name:
1H-Imidazole-4-carbonitrile
CAS Number:
57090-88-7
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
MDL Number:
MFCD00233358
IUPAC Name:
1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)
InChI Key:
NWVGXXPWOYZODV-UHFFFAOYSA-N
SMILES:
c1c(nc[nH]1)C#N
EC Number:
611-464-4
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:
1  
Isotope Atom Count:
0
Molecular Weight:
93.089g/mol
Monoisotopic Mass:
93.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
trans-Diaqua-bis[5-(1H-imidazol-4-yl-κN)-1H-tetra-zolato-κN]zinc(II). Acta crystallographica. Section E, Structure reports online 20090501
4-cyanoimidazolate: a new pseudo-cyanide? Inorganic chemistry 20040809
Properties