3-Bromo-5-methylbenzylamine - CAS 1177558-42-7

Catalog:	BB004008
Product Name:	3-Bromo-5-methylbenzylamine
CAS:	1177558-42-7
Synonyms:	(3-bromo-5-methylphenyl)methanamine; (3-bromo-5-methylphenyl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(3-bromo-5-methylphenyl)methanamine
Description:	3-Bromo-5-methylbenzylamine (CAS# 1177558-42-7) is a useful research chemical.
Molecular Weight:	200.08
Molecular Formula:	C8H10BrN
Canonical SMILES:	CC1=CC(=CC(=C1)Br)CN
InChI:	InChI=1S/C8H10BrN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,5,10H2,1H3
InChI Key:	HFQTVASWWMLTLZ-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	2.91650

Publication Number	Title	Priority Date
US-2021261587-A1	STRAD-binding agents and Uses Thereof	20200130
WO-2021155004-A1	Strad-binding agents and uses thereof	20200130
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2021300918-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2019345135-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406

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Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.99966
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.99966
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8