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Home > Other Heterocycles > 36769-16-1
36769-16-1 | rac-(1R,3R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane hydrochloride
CAS No: 36769-16-1 Catalog No: AG01B927 MDL No:
Product Description
Catalog Number:
AG01B927
Chemical Name:
rac-(1R,3R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane hydrochloride
CAS Number:
36769-16-1
Molecular Formula:
C13H18ClN
Molecular Weight:
223.7417
IUPAC Name:
(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C13H17N.ClH/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12;/h1-5,11-14H,6-9H2;1H/t11?,12-,13+;
InChI Key:
HLEFOZHDLIDURS-XCJHQLQTSA-N
SMILES:
C1C[C@@H]2N[C@H]1C[C@@H](C2)c1ccccc1.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
223.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.744g/mol
Monoisotopic Mass:
223.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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