1H-Imidazole-2-carbonitrile, 1-methyl-


Chemical Name: 1H-Imidazole-2-carbonitrile, 1-methyl-
CAS Number: 45515-45-5
Product Number: AG00DE1L(AGN-PC-0NDF0E)
Synonyms:
MDL No:
Molecular Formula: C5H5N3
Molecular Weight: 107.1133

Identification/Properties


Properties
BP:
316.0±17.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
107.116g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
107.048g/mol
Monoisotopic Mass:
107.048g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
123
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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