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Home > Other Heterocycles > 1212447-19-2
1212447-19-2 | (1S,5R)-2-benzyl-2-azabicyclo[3.1.0]hexane-1-carbonitrile
CAS No: 1212447-19-2 Catalog No: AG019QVL MDL No:MFCD11858142
Product Description
Catalog Number:
AG019QVL
Chemical Name:
(1S,5R)-2-benzyl-2-azabicyclo[3.1.0]hexane-1-carbonitrile
CAS Number:
1212447-19-2
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD11858142
IUPAC Name:
(1S,5S)-2-benzyl-2-azabicyclo[3.1.0]hexane-1-carbonitrile
InChI:
InChI=1S/C13H14N2/c14-10-13-8-12(13)6-7-15(13)9-11-4-2-1-3-5-11/h1-5,12H,6-9H2/t12-,13+/m0/s1
InChI Key:
BPAAAVRIQDKBBC-QWHCGFSZSA-N
SMILES:
N#C[C@]12C[C@H]1CCN2Cc1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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