AG00FFDD

70631-95-7 | 4-Methyl-1H-Imidazole-2-Carbonitrile

AG00FFDD

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CAS Number	70631-95-7
Catalog Number	AG00FFDD(AGN-PC-0WAISN)
Chemical Name	4-Methyl-1H-Imidazole-2-Carbonitrile
IUPAC Name	5-methyl-1H-imidazole-2-carbonitrile
InChI	InChI=1S/C5H5N3/c1-4-3-7-5(2-6)8-4/h3H,1H3,(H,7,8)
InChI Key	SMSBRGXJBHXFMW-UHFFFAOYSA-N
MDL Number	MFCD19218812
Molecular Formula	C5H5N3
Molecular Weight	107.1133
SMILES	CC1N=C(C#N)NC=1
Synonyms	4-Methyl-1H-imidazole-2-carbonitrile, 70631-95-7, 5-methyl-1H-imidazole-2-carbonitrile, SMSBRGXJBHXFMW-UHFFFAOYSA-N, Imidazole, 2-cyano-4-methyl-, 1H-Imidazole-2-carbonitrile, 5-methyl-, AC1LC92X, SCHEMBL1971726, SCHEMBL12777839, CTK6C3525, DTXSID30341256, MFCD19218812, ZINC32132893, AKOS006354283, AKOS022965564, DS-5370, 4-Methyl-1H-imidazole-2-carbonitrile #, AK127078, Z2678251399, 2,4-Dimethylimidazole, CID571736,

Complexity	123
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	1
Isotope Atom Count	0
Molecular Weight	107.116g/mol
Monoisotopic Mass	107.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number