AG001TFG

1628047-87-9 | Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (1:2)

AG001TFG

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CAS Number	1628047-87-9
Catalog Number	AG001TFG(AGN-PC-0WAM8O)
Chemical Name	Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (1:2)
EC Number	941-920-0
IUPAC Name	1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride
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
MDL Number	MFCD28334264
Molecular Formula	C19H29Cl3N2
Molecular Weight	391.8060
SMILES	CC1(C)CCC(CN2CCNCC2)=C(C3=CC=C(Cl)C=C3)C1.[H]Cl.[H]Cl
Synonyms	1628047-87-9, 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, AK171391, 1-([2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine 2HCl salt, 1-([2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine dihydrochloride salt, 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine dihydrochloride salt, SCHEMBL16030555, BCP15128, CS-B1506, MFCD28334264, AKOS025289806, DS-7611, SB17749, KS-0000066T, AC-29962, 1-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]piperazine dihydrochloride, Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (1:2), SBE 13 HCl, ACN-051528, EC 941-920-0, 1228780-72-0, 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazine dihydrochloride, 1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine dihydrochloride, 1-((4-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine 2HCl, 1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine dihydrochloride, 97% - 1G 1g,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	390.14g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	391.805g/mol
Monoisotopic Mass	390.14g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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