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Home > Other Heterocycles > 86-13-5
86-13-5 | 8-Azabicyclo[3.2.1]octane,3-(diphenylmethoxy)-8-methyl-, (3-endo)-
CAS No: 86-13-5 Catalog No: AG004TWM MDL No:MFCD00866568
Product Description
Catalog Number:
AG004TWM
Chemical Name:
8-Azabicyclo[3.2.1]octane,3-(diphenylmethoxy)-8-methyl-, (3-endo)-
CAS Number:
86-13-5
Molecular Formula:
C21H25NO
Molecular Weight:
307.4293
MDL Number:
MFCD00866568
IUPAC Name:
(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?
InChI Key:
GIJXKZJWITVLHI-YOFSQIOKSA-N
SMILES:
CN1[C@@H]2CC[C@@H]1CC(C2)OC(c1ccccc1)c1ccccc1
UNII:
1NHL2J4X8K
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
307.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.437g/mol
Monoisotopic Mass:
307.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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