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5-Bromo-1,2,3,4-tetrahydroisoquinoline Hydrochloride

5-Bromo-1,2,3,4-tetrahydroisoquinoline Hydrochloride - CAS 923591-51-9

Catalog:	BB040498
Product Name:	5-Bromo-1,2,3,4-tetrahydroisoquinoline Hydrochloride
CAS:	923591-51-9
Synonyms:	5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride; 5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
Description:	5-Bromo-1,2,3,4-tetrahydroisoquinoline Hydrochloride (CAS# 923591-51-9) is a useful research chemical.
Molecular Weight:	248.55
Molecular Formula:	C9H11BrClN
Canonical SMILES:	C1CNCC2=C1C(=CC=C2)Br.Cl
InChI:	InChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2;1H
InChI Key:	SBMVDLGSHBOIOK-UHFFFAOYSA-N
MDL:	MFCD05861550
LogP:	3.22560

Publication Number	Title	Priority Date
WO-2020009176-A1	Amide compound having bet proteolysis-inducing action and medicinal application thereof	20180704
JP-2020186251-A	Amide compounds with BET proteolysis-inducing action and their uses as pharmaceuticals	20180704
JP-6744516-B2	Amide compound having BET proteolysis-inducing action and use thereof as a medicine	20180704
JP-WO2020009176-A1	Amide compound having a BET proteolysis-inducing action and use thereof as a medicine	20180704
TW-202019946-A	Acetamide compound with induction effect of BIT protein decomposition and its use as medicine	20180704

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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