AG000UL4

1305320-63-1 | 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid, HCl

AG000UL4

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1305320-63-1
Catalog Number	AG000UL4(AGN-PC-0JEK35)
Chemical Name	4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid, HCl
IUPAC Name	4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid;hydrochloride
InChI	InChI=1S/C26H31ClN2O2.ClH/c1-26(2)12-11-24(19-3-7-22(27)8-4-19)21(17-26)18-28-13-15-29(16-14-28)23-9-5-20(6-10-23)25(30)31;/h3-10H,11-18H2,1-2H3,(H,30,31);1H
InChI Key	KKJDHOMITBURAP-UHFFFAOYSA-N
MDL Number	MFCD18911741
Molecular Formula	C26H32Cl2N2O2
Molecular Weight	475.4505
SMILES	O=C(O)C1=CC=C(N2CCN(CC3=C(C4=CC=C(Cl)C=C4)CCC(C)(C)C3)CC2)C=C1.[H]Cl
Synonyms	1305320-63-1, 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochloride, 4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid hydrochloride, 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochlori, C26H31ClN2O2.HCl, CTK8E1800, KS-00000COF, 6066AJ, MFCD18911741, AKOS022183772, TRA0080628, AS-32377, SY014058, DB-020169, TC-307613, FT-0732680, K-4055, MFCD18911741 (97+%), 4-(4-((4-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid hydrochloride, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid hcl, 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid, HCl, 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoicAcidHydrochloride, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid;hydrochloride, Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1), KKJDHOMITBURAP-UHFFFAOYSA-N, 6337-56-0,

Complexity	652
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	474.184g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	475.454g/mol
Monoisotopic Mass	474.184g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.8A^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	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number