AG00C8CS

36314-98-4 | 4-Pyrimidinecarbonitrile, 2-amino- (9CI)

AG00C8CS

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CAS Number	36314-98-4
Catalog Number	AG00C8CS(AGN-PC-0RC0A3)
Chemical Name	4-Pyrimidinecarbonitrile, 2-amino- (9CI)
IUPAC Name	2-aminopyrimidine-4-carbonitrile
InChI	InChI=1S/C5H4N4/c6-3-4-1-2-8-5(7)9-4/h1-2H,(H2,7,8,9)
InChI Key	KOTOJHBUFJPGEG-UHFFFAOYSA-N
MDL Number	MFCD09834971
Molecular Formula	C5H4N4
Molecular Weight	120.1121
SMILES	NC1=NC=CC(=N1)C#N
Synonyms	2-Amino-4-cyanopyrimidine, 36314-98-4, 2-aminopyrimidine-4-carbonitrile, 2-amino-4-pyrimidinecarbonitrile, cyano-iminopyrimidine, 4-Pyrimidinecarbonitrile, 2-amino- (9CI), aminopyrimidinecarbonitrile, SCHEMBL882115, CTK8B6003, DTXSID80587384, KS-000004IP, ANW-51888, MFCD09834971, ZINC39053313, AKOS005071804, AB52976, BE-0222, CS-W019700, MCULE-5010702824, RP09647, AC-29866, AJ-97632, AK-27268, BR-27268, CJ-19673, EN001408, SY058928, AB0024488, ST2409499, TR-014895, 4CH-008431, AM20090577, FT-0650232, W5772, MFCD09834971 (95%), S-6137, I03-1383, J-508075, C5H4N4, 4-Pyrimidinecarbonitrile,2-amino-, 108-52-1,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.044g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	120.115g/mol
Monoisotopic Mass	120.044g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number