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69663-48-5 | 2-tert-Butyl-1,3,4,6,7,11b-hexahydro-7-phenyl-2H-benzo(a)quinolizin-2-ol
CAS No: 69663-48-5 Catalog No: AG005JNB MDL No:
Product Description
Catalog Number:
AG005JNB
Chemical Name:
2-tert-Butyl-1,3,4,6,7,11b-hexahydro-7-phenyl-2H-benzo(a)quinolizin-2-ol
CAS Number:
69663-48-5
Molecular Formula:
C23H29NO
Molecular Weight:
335.4825
IUPAC Name:
(2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
InChI:
InChI=1S/C23H29NO/c1-22(2,3)23(25)13-14-24-16-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21(24)15-23/h4-12,20-21,25H,13-16H2,1-3H3/t20-,21-,23-/m0/s1
InChI Key:
UXKLVVLXBLXQBO-FUDKSRODSA-N
SMILES:
CC(C1(O)CCN2C(C1)c1ccccc1C(C2)c1ccccc1)(C)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
335.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.491g/mol
Monoisotopic Mass:
335.225g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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