ABT199 intermediate 1 - CAS 1628047-87-9

Name: ABT199 intermediate 1
Brand: BOC Sciences
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Catalog:	BB043572
Product Name:	ABT199 intermediate 1
CAS:	1628047-87-9
Synonyms:	Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (1:2); 1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine dihydrochloride; 1-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine dihydrochloride; 1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine dihydrochloride; 1-([2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine 2HCl salt

Technical Data

IUPAC Name:	1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride
Description:	ABT199 intermediate 1 (CAS# 1628047-87-9 ) is a useful research chemical.
Molecular Weight:	391.80
Molecular Formula:	C19H29Cl3N2
Canonical SMILES:	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCNCC3)C.Cl.Cl
InChI:	InChI=1S/C19H27ClN2.2ClH/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15;;/h3-6,21H,7-14H2,1-2H3;2*1H
InChI Key:	KISZDCHFJKYNFW-UHFFFAOYSA-N

Complexity:	402
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	390.139632
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	390.139632
Rotatable Bond Count:	3
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0