AG003LQG

77768-02-6 | 4-methylpyrimidine-2-carbonitrile

AG003LQG

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CAS Number	77768-02-6
Catalog Number	AG003LQG(AGN-PC-0NJW0T)
Chemical Name	4-methylpyrimidine-2-carbonitrile
IUPAC Name	4-methylpyrimidine-2-carbonitrile
InChI	InChI=1S/C6H5N3/c1-5-2-3-8-6(4-7)9-5/h2-3H,1H3
InChI Key	XXQWGLMZNGIYQY-UHFFFAOYSA-N
MDL Number	MFCD13190572
Molecular Formula	C6H5N3
Molecular Weight	119.1240
SMILES	CC1=CC=NC(=N1)C#N
Synonyms	4-Methylpyrimidine-2-carbonitrile, 77768-02-6, 4-METHYL-2-PYRIMIDINECARBONITRILE, 2-Pyrimidinecarbonitrile, 4-methyl-, 4-methyl 2pyrimidincarbonitril, 4-Methyl-pyrimidine-2-carbonitrile, 2-Pyrimidinecarbonitrile, 4-methyl- (9CI), 2-Cyano-4-methylpyrimidine, SCHEMBL109350, CTK8B7441, KS-00000DZN, DTXSID00506815, XXQWGLMZNGIYQY-UHFFFAOYSA-N, 4-methyl pyrimidine-2-carbonitrile, ANW-57299, MFCD13190572, ZINC39052871, AKOS016001530, ACN-050989, CS-W003852, PB33166, TRA0070020, 2-Pyrimidinecarbonitrile,4-methyl-(9ci), AC-28231, AJ-97597, CJ-19668, CS-11465, QC-10034, SY021930, AB0054012, TX-017050, 4CH-001975, AM20120565, BB 0262762, FT-0647270, ST24029179, Q-1785, MFCD13190572 (97+%), Z1913661196,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	119.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	119.127g/mol
Monoisotopic Mass	119.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H317
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310
UN Code	UN 3439

Certificate of Analysis

Lot Number