AG002OG5

245321-46-4 | 2-Pyrimidinecarbonitrile, 4-amino- (9CI)

AG002OG5

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CAS Number	245321-46-4
Catalog Number	AG002OG5(AGN-PC-0R0CO6)
Chemical Name	2-Pyrimidinecarbonitrile, 4-amino- (9CI)
IUPAC Name	4-aminopyrimidine-2-carbonitrile
InChI	InChI=1S/C5H4N4/c6-3-5-8-2-1-4(7)9-5/h1-2H,(H2,7,8,9)
InChI Key	MRINWLDDTZFLSW-UHFFFAOYSA-N
MDL Number	MFCD09834970
Molecular Formula	C5H4N4
Molecular Weight	120.1121
SMILES	N#CC1=NC=CC(N)=N1
Synonyms	245321-46-4, 4-AMINOPYRIMIDINE-2-CARBONITRILE, 2-PYRIMIDINECARBONITRILE, 4-AMINO-, 4-AMINO-2-PYRIMIDINECARBONITRILE, 2-Pyrimidinecarbonitrile, 4-amino- (9CI), aminocyanopyrimidine, SCHEMBL1629251, CTK8H7969, 8245AD, MFCD09834970, ZINC39052318, AKOS006328530, AB52972, AJ-97575, AS-46516, SC-49587, ST24043271, C5H4N4, 2-Pyrimidinecarbonitrile,4-amino-, 2-Pyrimidinecarbonitrile, 4-amino-, 95% - 1G 1g,

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-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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