AG00F9Y5

66121-66-2 | 1-methyl-1H-imidazole-5-carbonitrile

AG00F9Y5

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CAS Number	66121-66-2
Catalog Number	AG00F9Y5(AGN-PC-0KL7IR)
Chemical Name	1-methyl-1H-imidazole-5-carbonitrile
IUPAC Name	3-methylimidazole-4-carbonitrile
InChI	InChI=1S/C5H5N3/c1-8-4-7-3-5(8)2-6/h3-4H,1H3
InChI Key	VRBIIAGKRWHJQE-UHFFFAOYSA-N
MDL Number	MFCD06200859
Molecular Formula	C5H5N3
Molecular Weight	107.1133
SMILES	CN1C=NC=C1C#N
Synonyms	1-Methyl-1H-imidazole-5-carbonitrile, 66121-66-2, 3-methylimidazole-4-carbonitrile, 1H-Imidazole-5-carbonitrile,1-methyl-, VRBIIAGKRWHJQE-UHFFFAOYSA-N, AC1MDTC9, SCHEMBL945843, 1-Methyl-5-cyano-1H-imidazole, 1-methylimidazole-5-carbonitrile, CTK5C3544, DTXSID60383664, ACT03858, KS-000006NJ, ZINC4262654, ANW-71540, MFCD06200859, SBB068645, AKOS006345441, CM-1302, MCULE-7099795072, PB24888, RP00450, 1H-Imidazole-5-carbonitrile, 1-methyl-, AJ-49921, AK-78497, AN-38559, AS-34317, QC-10000, AB0020063, TX-015980, A8935, CS-0052469, FT-0653653, ST24038078, V0791, 3-METHYL-3H-IMIDAZOLE-4-CARBONITRILE, Q-1464, 1-methyl-1H-imidazole-5-carbonitrile, AldrichCPR, 121M662, I14-7983, I14-8909, J-504867, J-504911, Z1552027408, 1-Methyl-2-cyanoimidazole, C5H5N3, ZINC04262654, 1-Methyl-1H-imidazole-2-carbonitrile, CID2795425,

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	0
Isotope Atom Count	0
Molecular Weight	107.116g/mol
Monoisotopic Mass	107.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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