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1228780-72-0 | Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-
CAS No: 1228780-72-0 Catalog No: AG000JND MDL No:MFCD28334264
Product Description
Catalog Number:
AG000JND
Chemical Name:
Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-
CAS Number:
1228780-72-0
Molecular Formula:
C19H27ClN2
Molecular Weight:
318.8841
MDL Number:
MFCD28334264
IUPAC Name:
1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine
InChI:
InChI=1S/C19H27ClN2/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
InChI Key:
YCNNHDUZLQPKJY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCNCC1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.186g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.889g/mol
Monoisotopic Mass:
318.186g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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