AG00ECL3

56621-91-1 | 2-BROMOPYRIMIDIN-5-AMINE

AG00ECL3

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CAS Number	56621-91-1
Catalog Number	AG00ECL3(AGN-PC-0NI47Q)
Chemical Name	2-BROMOPYRIMIDIN-5-AMINE
IUPAC Name	2-bromopyrimidin-5-amine
InChI	InChI=1S/C4H4BrN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
InChI Key	BTXWPEMYVHUOPW-UHFFFAOYSA-N
MDL Number	MFCD07778608
Molecular Formula	C4H4BrN3
Molecular Weight	173.9987
SMILES	NC1=CN=C(N=C1)Br
Synonyms	5-Amino-2-bromopyrimidine, 56621-91-1, 2-BROMOPYRIMIDIN-5-AMINE, 2-Bromo-5-aminepyrimidine, 2-BROMO-5-PYRIMIDINAMINE, AK-24577, 2-Bromo-5-aminopyrimidine, 2-BROMOPYRIMIDIN-5-YLAMINE, 5-Pyrimidinamine, 2-bromo-, SCHEMBL1444312, CTK5A5460, DTXSID70480850, BTXWPEMYVHUOPW-UHFFFAOYSA-N, 2-BROMOPYRIMIDINE-5-YLAMINE, KS-00000MX4, ANW-50984, FCH856944, MFCD07778608, ZINC38339318, AKOS006287563, AC-4603, CS-W008909, HP21234, PB24997, QC-5572, RP23601, AJ-95158, AN-11809, BC005054, BR-24577, CJ-19236, DS-10640, SC-89269, AB0025546, AX8072310, DB-072165, ST2411698, TR-019857, 4CH-004945, FT-0649414, W7027, S-6212, I03-0195, J-516680, C4H4BrN3,

Complexity	69.7
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	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P301+P312+P330
UN Code	UN 2811

Certificate of Analysis

Lot Number