AG003J48

39959-54-1 | 3-Bromobenzylamine, HCl

AG003J48

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CAS Number	39959-54-1
Catalog Number	AG003J48(AGN-PC-0KK0J2)
Chemical Name	3-Bromobenzylamine, HCl
IUPAC Name	(3-bromophenyl)methanamine;hydrochloride
InChI	InChI=1S/C7H8BrN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
InChI Key	UGEQUCUBWNAUJS-UHFFFAOYSA-N
MDL Number	MFCD00012856
Molecular Formula	C7H9BrClN
Molecular Weight	222.5101
SMILES	NCC1=CC=CC(Br)=C1.[H]Cl
Synonyms	3-Bromobenzylamine hydrochloride, 39959-54-1, (3-bromophenyl)methanamine Hydrochloride, 3-Bromobenzylamine HCl, 3-Bromobenzylaminehydrochloride, 3-Bromobenzyl amine HCl, MFCD00012856, M-Bromobenzylamine Hydrochloride, (3-Bromophenyl)methylamine hydrochloride, Benzenemethanamine, 3-bromo-, hydrochloride, PubChem3750, 3-Bromobenzylamine, HCl, ACMC-209j9d, AC1MC63M, 3-Bromo-benzylamine HCl salt, CHEMBL13658, SCHEMBL302987, (3-Bromophenyl)Methanamine HCl, CTK8B1621, 3-Bromo-benzylamine hydrochloride, DTXSID10369312, UGEQUCUBWNAUJS-UHFFFAOYSA-N, ACT07929, STR04946, (3-bromophenyl)methylamine, chloride, ANW-29231, AKOS002331476, 3-Bromobenzylamine hydrochloride, 96%, AS03102, MCULE-3291445632, NE10717, PS-7818, TRA0030853, VZ26500, KS-0000163U, BC002556, U643, [(3-bromophenyl)methyl]amine hydrochloride, 1-(3-bromophenyl)methanamine hydrochloride, 1-(3-bromophenyl) methanamine hydrochloride, DB-022377, ST2414258, TC-117976, FT-0615213, ST50405139, I01-0237, Z1262246228, C7H9BrClN, (3-Bromophenyl)methanaminehydrochloride, ACN-050606, CID2724980, B1989, 3-Bromobenzylamine hydrochloride, 98.5% - 25G 25g,

Complexity	85
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.961g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.51g/mol
Monoisotopic Mass	220.961g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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