200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1305320-63-1
1305320-63-1 | Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1)
CAS No: 1305320-63-1 Catalog No: AG000UL4 MDL No:MFCD18911741
Product Description
Catalog Number:
AG000UL4
Chemical Name:
Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1)
CAS Number:
1305320-63-1
Molecular Formula:
C26H32Cl2N2O2
Molecular Weight:
475.4505
MDL Number:
MFCD18911741
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
SMILES:
Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)O)CC(CC1)(C)C.Cl
Properties
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.