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Home > Other Heterocycles > 1955506-32-7
1955506-32-7 | 3-(PHENYLSULFANYL)-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS No: 1955506-32-7 Catalog No: AG01AT1N MDL No:MFCD26792955
Product Description
Catalog Number:
AG01AT1N
Chemical Name:
3-(PHENYLSULFANYL)-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS Number:
1955506-32-7
Molecular Formula:
C13H18ClNS
Molecular Weight:
255.8067
MDL Number:
MFCD26792955
IUPAC Name:
3-phenylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C13H17NS.ClH/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10;/h1-5,10-11,13-14H,6-9H2;1H
InChI Key:
SYBUEXDJPQBCHM-UHFFFAOYSA-N
SMILES:
C1CC2NC1CC(C2)Sc1ccccc1.Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.804g/mol
Monoisotopic Mass:
255.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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