4-Bromo-2-methylbenzylamine Hydrochloride - CAS 1171381-49-9

Catalog:	BB003856
Product Name:	4-Bromo-2-methylbenzylamine Hydrochloride
CAS:	1171381-49-9
Synonyms:	(4-bromo-2-methylphenyl)methanamine;hydrochloride; (4-bromo-2-methylphenyl)methanamine;hydrochloride

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Computed Properties

IUPAC Name:	(4-bromo-2-methylphenyl)methanamine;hydrochloride
Description:	4-Bromo-2-methylbenzylamine Hydrochloride (CAS# 1171381-49-9) is a useful research chemical.
Molecular Weight:	236.54
Molecular Formula:	C8H11BrClN
Canonical SMILES:	CC1=C(C=CC(=C1)Br)CN.Cl
InChI:	InChI=1S/C8H10BrN.ClH/c1-6-4-8(9)3-2-7(6)5-10;/h2-4H,5,10H2,1H3;1H
InChI Key:	UEKVTWPKBCLFKU-UHFFFAOYSA-N
LogP:	3.71850

Publication Number	Title	Priority Date
WO-2020232330-A1	Inhibiting agents for bruton's tyrosine kinase	20190515
US-2019382394-A1	Inhibiting agents for bruton's tyrosine kinase	20180514
WO-2019222101-A1	Inhibiting agents for bruton's tyrosine kinase	20180514
TW-202016097-A	Bruton's tyrosine kinase inhibitor	20180514
EP-3793994-A1	Inhibiting agents for bruton's tyrosine kinase	20180514

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.97634
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	234.97634
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0