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Home > Other Heterocycles > 463961-54-8
463961-54-8 | 2-benzyl-2-azabicyclo[2.1.1]hexane-1-carbonitrile
CAS No: 463961-54-8 Catalog No: AG01EJU4 MDL No:MFCD13806446
Product Description
Catalog Number:
AG01EJU4
Chemical Name:
2-benzyl-2-azabicyclo[2.1.1]hexane-1-carbonitrile
CAS Number:
463961-54-8
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD13806446
IUPAC Name:
2-benzyl-2-azabicyclo[2.1.1]hexane-1-carbonitrile
InChI:
InChI=1S/C13H14N2/c14-10-13-6-12(7-13)9-15(13)8-11-4-2-1-3-5-11/h1-5,12H,6-9H2
InChI Key:
LDINPNZAWOGIII-UHFFFAOYSA-N
SMILES:
N#CC12CC(C1)CN2Cc1ccccc1
Properties
Complexity:
289
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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