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Home > Other Heterocycles > 101858-22-4
101858-22-4 | 8-Azabicyclo[3.2.1]octane-8-butanol, 3-hydroxy-α,α,3-triphenyl-
CAS No: 101858-22-4 Catalog No: AG0005R0 MDL No:
Product Description
Catalog Number:
AG0005R0
Chemical Name:
8-Azabicyclo[3.2.1]octane-8-butanol, 3-hydroxy-α,α,3-triphenyl-
CAS Number:
101858-22-4
Molecular Formula:
C29H33NO2
Molecular Weight:
427.5778
IUPAC Name:
8-(4-hydroxy-4,4-diphenylbutyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
InChI:
InChI=1S/C29H33NO2/c31-28(23-11-4-1-5-12-23)21-26-17-18-27(22-28)30(26)20-10-19-29(32,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-27,31-32H,10,17-22H2
InChI Key:
WVYHWXIPRDZZRF-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)(c1ccccc1)CCCN1C2CCC1CC(C2)(O)c1ccccc1
NSC Number:
665764
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.251g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
427.588g/mol
Monoisotopic Mass:
427.251g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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