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89687-45-6 | 2-Propanone, 1-phenoxy-3-(4-phenyl-1-piperidinyl)-, hydrochloride
CAS No: 89687-45-6 Catalog No: AG00439E MDL No:
Product Description
Catalog Number:
AG00439E
Chemical Name:
2-Propanone, 1-phenoxy-3-(4-phenyl-1-piperidinyl)-, hydrochloride
CAS Number:
89687-45-6
Molecular Formula:
C20H24ClNO2
Molecular Weight:
345.8631
IUPAC Name:
1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one;hydrochloride
InChI:
InChI=1S/C20H23NO2.ClH/c22-19(16-23-20-9-5-2-6-10-20)15-21-13-11-18(12-14-21)17-7-3-1-4-8-17;/h1-10,18H,11-16H2;1H
InChI Key:
KJMRGJYJBNHMLQ-UHFFFAOYSA-N
SMILES:
O=C(CN1CCC(CC1)c1ccccc1)COc1ccccc1.Cl
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.15g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.867g/mol
Monoisotopic Mass:
345.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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