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Home > Other Heterocycles > 1824450-61-4
1824450-61-4 | 3-benzyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CAS No: 1824450-61-4 Catalog No: AG01B45H MDL No:MFCD24506333
Product Description
Catalog Number:
AG01B45H
Chemical Name:
3-benzyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CAS Number:
1824450-61-4
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD24506333
IUPAC Name:
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
InChI Key:
XHNJNRXGPDUQEV-UHFFFAOYSA-N
SMILES:
N#CC1C2C1CN(C2)Cc1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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