Home Nitriles 8-benzyl-2-hydroxy-8-azabicyclo[3.2.1]octane-6-carbonitrile

8-benzyl-2-hydroxy-8-azabicyclo[3.2.1]octane-6-carbonitrile

CAS No.:
1909336-94-2
Catalog Number:
AG01C2P6
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
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Product Description
Catalog Number:
AG01C2P6
Chemical Name:
8-benzyl-2-hydroxy-8-azabicyclo[3.2.1]octane-6-carbonitrile
CAS Number:
1909336-94-2
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
MDL Number:
MFCD29906800
IUPAC Name:
8-benzyl-2-hydroxy-8-azabicyclo[3.2.1]octane-6-carbonitrile
InChI:
InChI=1S/C15H18N2O/c16-9-12-8-14-15(18)7-6-13(12)17(14)10-11-4-2-1-3-5-11/h1-5,12-15,18H,6-8,10H2
InChI Key:
XVJZMHJFKGAQGC-UHFFFAOYSA-N
SMILES:
N#CC1CC2N(C1CCC2O)Cc1ccccc1
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties