AG003NQZ

55095-16-4 | (3-Bromophenyl)(phenyl)methanamine

AG003NQZ

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CAS Number	55095-16-4
Catalog Number	AG003NQZ(AGN-PC-0NKO1N)
Chemical Name	(3-Bromophenyl)(phenyl)methanamine
IUPAC Name	(3-bromophenyl)-phenylmethanamine
InChI	InChI=1S/C13H12BrN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13H,15H2
InChI Key	SPJBOTWJLJIHLV-UHFFFAOYSA-N
MDL Number	MFCD09738398
Molecular Formula	C13H12BrN
Molecular Weight	262.1451
SMILES	NC(C1=CC=CC(Br)=C1)C2=CC=CC=C2
Synonyms	alpha-(3-Bromophenyl)benzylamine, 55095-16-4, (3-Bromophenyl)(phenyl)methanamine, SCHEMBL4065942, SPJBOTWJLJIHLV-UHFFFAOYSA-N, alpha -(3-Bromophenyl)benzylamine, KS-000009IK, 6512AJ, MFCD09738398, AKOS000145458, AKOS016048916, 1-(3-Bromophenyl)-1-phenylmethanamine, TRA0057562, benzenamine,3-bromo-n-methyl-n-phenyl-, AS-32184, SY019405, AX8268514, TC-308055, FT-0716685, K-9868, MFCD09738398 (97+%), 302966-79-6, C13H12BrN, (3-bromophenyl)(phenyl)methylamine, 16491-36-4,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.015g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.15g/mol
Monoisotopic Mass	261.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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