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Home > Other Heterocycles > 1212420-85-3
1212420-85-3 | (1R,5S,6R)-3-benzyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CAS No: 1212420-85-3 Catalog No: AG019QVM MDL No:MFCD11099885
Product Description
Catalog Number:
AG019QVM
Chemical Name:
(1R,5S,6R)-3-benzyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CAS Number:
1212420-85-3
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD11099885
IUPAC Name:
(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
InChI:
InChI=1S/C13H14N2/c14-6-11-12-8-15(9-13(11)12)7-10-4-2-1-3-5-10/h1-5,11-13H,7-9H2/t11?,12-,13+
InChI Key:
XHNJNRXGPDUQEV-YHWZYXNKSA-N
SMILES:
N#C[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1
Properties
Complexity:
272
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:
1.5
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