3-Bromo-4-methylbenzylamine - CAS 1177558-32-5

Name: 3-Bromo-4-methylbenzylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004007
Product Name:	3-Bromo-4-methylbenzylamine
CAS:	1177558-32-5
Synonyms:	(3-bromo-4-methylphenyl)methanamine; (3-bromo-4-methylphenyl)methanamine

Technical Data

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Patents

Computed Properties

IUPAC Name:	(3-bromo-4-methylphenyl)methanamine
Description:	3-Bromo-4-methylbenzylamine (CAS# 1177558-32-5 ) is a useful research chemical.
Molecular Weight:	200.08
Molecular Formula:	C8H10BrN
Canonical SMILES:	CC1=C(C=C(C=C1)CN)Br
InChI:	InChI=1S/C8H10BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3
InChI Key:	GDRGOJWXIJAVCR-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	2.91650

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Related Functional Groups

Amines and Anilines

[1232060-85-3]C6H13NO2
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1550-50-1]C4H7F4N
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[42150-24-3]C5H9N3
2-(4-Pyrazolyl)ethylamine
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021038419-A1	Kinase inhibitors and methods of synthesis and treatment	20190823
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2021300918-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
AU-2016346557-A1	Pyrimidine derivative	20151029
EP-3372589-A1	Pyrimidine derivative	20151029

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8