5-Bromo-1,2,3,4-tetrahydroquinoline Hydrochloride - CAS 1073968-64-5

Catalog:	BB002072
Product Name:	5-Bromo-1,2,3,4-tetrahydroquinoline Hydrochloride
CAS:	1073968-64-5
Synonyms:	5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride; 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride

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Computed Properties

IUPAC Name:	5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
Description:	5-Bromo-1,2,3,4-tetrahydroquinoline Hydrochloride (CAS# 1073968-64-5) is a useful research chemical.
Molecular Weight:	248.55
Molecular Formula:	C9H11BrClN
Canonical SMILES:	C1CC2=C(C=CC=C2Br)NC1.Cl
InChI:	InChI=1S/C9H10BrN.ClH/c10-8-4-1-5-9-7(8)3-2-6-11-9;/h1,4-5,11H,2-3,6H2;1H
InChI Key:	RPHAEDCEIPCYBX-UHFFFAOYSA-N
LogP:	3.74720

Publication Number	Title	Priority Date
US-2019381019-A1	Pyrazole derivatives as malt1 inhibitors	20180618
WO-2019243964-A1	Pyrazole derivatives as malt1 inhibitors	20180618
CN-112585128-A	Pyrazole derivatives as MALT1 inhibitors	20180618
EP-3807266-A1	Pyrazole derivatives as malt1 inhibitors	20180618
KR-20210024548-A	Pyrazole derivatives as MALT1 inhibitors	20180618

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Related Functional Groups

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[948291-36-9]
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[938459-19-9]
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[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
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4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester

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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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.97634
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	246.97634
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0