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Home > Other Heterocycles > 89398-06-1
89398-06-1 | 3-Thia-7-azabicyclo[3.3.1]nonane,7-(phenylmethyl)-
CAS No: 89398-06-1 Catalog No: AG0058G8 MDL No:
Product Description
Catalog Number:
AG0058G8
Chemical Name:
3-Thia-7-azabicyclo[3.3.1]nonane,7-(phenylmethyl)-
CAS Number:
89398-06-1
Molecular Formula:
C14H19NS
Molecular Weight:
233.3724
IUPAC Name:
7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane
InChI:
InChI=1S/C14H19NS/c1-2-4-12(5-3-1)7-15-8-13-6-14(9-15)11-16-10-13/h1-5,13-14H,6-11H2
InChI Key:
GGVNYPLCGOIQCO-UHFFFAOYSA-N
SMILES:
S1CC2CN(CC(C1)C2)Cc1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.373g/mol
Monoisotopic Mass:
233.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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