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Home > Other Heterocycles > 36489-45-9
36489-45-9 | 1-phenyl-4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one hydrochloride(1:1)
CAS No: 36489-45-9 Catalog No: AG0079OH MDL No:
Product Description
Catalog Number:
AG0079OH
Chemical Name:
1-phenyl-4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one hydrochloride(1:1)
CAS Number:
36489-45-9
Molecular Formula:
C25H31ClN2O
Molecular Weight:
410.9794
IUPAC Name:
1-phenyl-4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one;hydrochloride
InChI:
InChI=1S/C25H30N2O.ClH/c28-24-22-12-7-14-25(24,20-8-3-1-4-9-20)15-13-23(22)27-18-16-26(17-19-27)21-10-5-2-6-11-21;/h1-6,8-11,22-23H,7,12-19H2;1H
InChI Key:
BOTADDMHRIPLAK-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC1(CCC2N1CCN(CC1)c1ccccc1)c1ccccc1.Cl
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.212g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.986g/mol
Monoisotopic Mass:
410.212g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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