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Home > Other Heterocycles > 141380-31-6
141380-31-6 | 3-Azabicyclo[3.2.1]octane-8-carbonitrile, 3-(phenylmethyl)-
CAS No: 141380-31-6 Catalog No: AG00HVZV MDL No:MFCD28404913
Product Description
Catalog Number:
AG00HVZV
Chemical Name:
3-Azabicyclo[3.2.1]octane-8-carbonitrile, 3-(phenylmethyl)-
CAS Number:
141380-31-6
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
MDL Number:
MFCD28404913
IUPAC Name:
3-benzyl-3-azabicyclo[3.2.1]octane-8-carbonitrile
InChI:
InChI=1S/C15H18N2/c16-8-15-13-6-7-14(15)11-17(10-13)9-12-4-2-1-3-5-12/h1-5,13-15H,6-7,9-11H2
InChI Key:
GTIQIRBEEJPFTL-UHFFFAOYSA-N
SMILES:
N#CC1C2CCC1CN(C2)Cc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.323g/mol
Monoisotopic Mass:
226.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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