AG000HAE

1159818-57-1 | 4-Pyrimidinamine, 6-bromo-

AG000HAE

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CAS Number	1159818-57-1
Catalog Number	AG000HAE(AGN-PC-07H9UW)
Chemical Name	4-Pyrimidinamine, 6-bromo-
IUPAC Name	6-bromopyrimidin-4-amine
InChI	InChI=1S/C4H4BrN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
InChI Key	ZHTZYBZECZEMFQ-UHFFFAOYSA-N
MDL Number	MFCD00233963
Molecular Formula	C4H4BrN3
Molecular Weight	173.9987
SMILES	NC1=NC=NC(=C1)Br
Synonyms	4-Amino-6-bromopyrimidine, 1159818-57-1, 6-bromopyrimidin-4-amine, 6-BROMO-4-AMINOPYRIMIDINE, 6-BROMO-PYRIMIDIN-4-YLAMINE, 4-Bromo-6-aminopyrimidine, 4-Pyrimidinamine, 6-bromo-, SCHEMBL2717271, CTK4A9588, KS-00000HIE, DTXSID40671733, ANW-64142, BBL102371, MFCD00233963, STL556172, ZINC40448440, AKOS004910670, CS-W002542, FS-2815, HP21634, MB00979, QC-5519, AK-24966, BR-24966, CJ-20145, SC-53364, SY033215, AB0034908, AJ-102728, DB-060797, TR-034142, 4CH-008132, C2311, FT-0752694, ST24028882, X9140, MFCD00233963 (95%), S-6184, C4H4BrN3,

Complexity	77.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.959g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.001g/mol
Monoisotopic Mass	172.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

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