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Home > Other Heterocycles > 2044705-96-4
2044705-96-4 | rac-(1R,5S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane hydrochloride
CAS No: 2044705-96-4 Catalog No: AG01BXHQ MDL No:
Product Description
Catalog Number:
AG01BXHQ
Chemical Name:
rac-(1R,5S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane hydrochloride
CAS Number:
2044705-96-4
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
IUPAC Name:
(1S,5R,6S)-6-phenyl-3-azabicyclo[3.2.0]heptane;hydrochloride
InChI:
InChI=1S/C12H15N.ClH/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11;/h1-5,10-13H,6-8H2;1H/t10-,11-,12+;/m1./s1
InChI Key:
GCFJVEPROAMAPP-HSASPSRMSA-N
SMILES:
N1C[C@H]2[C@@H](C1)C[C@@H]2c1ccccc1.Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
209.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.717g/mol
Monoisotopic Mass:
209.097g/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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