alpha-(4-Bromophenyl)benzylamine - CAS 55095-17-5

Catalog:	BB028910
Product Name:	alpha-(4-Bromophenyl)benzylamine
CAS:	55095-17-5
Synonyms:	(4-bromophenyl)-phenylmethanamine; (4-bromophenyl)-phenylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	(4-bromophenyl)-phenylmethanamine
Description:	alpha-(4-Bromophenyl)benzylamine (CAS# 55095-17-5) is a useful research chemical.
Molecular Weight:	262.15
Molecular Formula:	C13H12BrN
Canonical SMILES:	C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N
InChI:	InChI=1S/C13H12BrN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
InChI Key:	CUGXLVXNFZFUFF-UHFFFAOYSA-N
Boiling Point:	365.3 °C at 760 mmHg
Density:	1.383 g/cm³
Appearance:	Powder
LogP:	4.19750

Publication Number	Title	Priority Date
WO-2021003295-A1	Modulators of hsd17b13 and methods of use thereof	20190702
EP-2758059-A1	Substituted pyrimidines	20110923
EP-2758059-B1	Substituted pyrimidines	20110923
US-2014349972-A1	Substituted pyrimidines	20110923
US-9079930-B2	Substituted pyrimidines	20110923

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Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.01531
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	261.01531
Rotatable Bond Count:	2
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2