AG00DJUP

5506-97-8 | 5-Pyrimidinecarbonitrile, 2-methyl- (7CI,8CI,9CI)

AG00DJUP

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CAS Number	5506-97-8
Catalog Number	AG00DJUP(AGN-PC-02ZQEL)
Chemical Name	5-Pyrimidinecarbonitrile, 2-methyl- (7CI,8CI,9CI)
IUPAC Name	2-methylpyrimidine-5-carbonitrile
InChI	InChI=1S/C6H5N3/c1-5-8-3-6(2-7)4-9-5/h3-4H,1H3
InChI Key	JQXXDALJZOCGKU-UHFFFAOYSA-N
MDL Number	MFCD06251535
Molecular Formula	C6H5N3
Molecular Weight	119.1240
SMILES	N#CC1=CN=C(C)N=C1
Synonyms	2-Methylpyrimidine-5-carbonitrile, 5506-97-8, 5-PYRIMIDINECARBONITRILE, 2-METHYL-, 5-pyrimidinecarbonitrile,2-methyl-, 5-Pyrimidinecarbonitrile, 2-methyl- (7CI,8CI,9CI), SCHEMBL1421235, CTK8J2212, DTXSID00609810, MFCD06251535, ZINC14593177, AKOS015997006, HP23659, MCULE-4351883682, PB21886, 2-METHYL-5-PYRIMIDINECARBONITRILE, AJ-64995, 2-METHYL-PYRIMIDINE-5-CARBONITRILE, DB-071941, CS-0053880, FT-0734235, ST51035431, Q-2627,

Complexity	127
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	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number