CAS Registry Number: 70631-95-7

Name:

1H-​Imidazole-​2-​carbonitrile, 5-​methyl-
1H-​Imidazole-​2-​carbonitrile, 4-​methyl- (9CI) 

Chemical Formula: C5H5N3
Exact Mass: 107.05
Molecular Weight: 107.11
m/z: 107.05 (100.0%), 108.05 (6.6%)
Elemental Analysis: C, 56.07; H, 4.71; N, 39.23

InChI: InChI=1S/C5H5N3/c1-4-3-7-5(2-6)8-4/h3H,1H3,(H,7,8)
InChIKey: SMSBRGXJBHXFMW-UHFFFAOYSA-N
Canonical SMILES : CC1=CN=C(N1)C#N

Specification

98%

1. (1) Magdolen, Peter; Helvetica Chimica Acta 2005, V88(9), P2454-2469 CAPLUS
2. (2) Kimoto, Hiroshi; Journal of Organic Chemistry 1979, V44(16), P2902-6 CAPLUS