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26369-05-1 | 4-Piperidinol, 1-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-4-(4-methylphenyl)-, hydrochloride (1:1)
CAS No: 26369-05-1 Catalog No: AG002SWI MDL No:
Product Description
Catalog Number:
AG002SWI
Chemical Name:
4-Piperidinol, 1-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-4-(4-methylphenyl)-, hydrochloride (1:1)
CAS Number:
26369-05-1
Molecular Formula:
C29H33ClN2O
Molecular Weight:
461.0381
IUPAC Name:
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-(4-methylphenyl)piperidin-4-ol;hydrochloride
InChI:
InChI=1S/C29H32N2O.ClH/c1-23-11-15-26(16-12-23)29(32)17-21-30(22-18-29)19-6-20-31-27-9-4-2-7-24(27)13-14-25-8-3-5-10-28(25)31;/h2-5,7-16,32H,6,17-22H2,1H3;1H
InChI Key:
JFUUOSQZXPKHBP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1(O)CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2.Cl
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.228g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
461.046g/mol
Monoisotopic Mass:
460.228g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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