Home Nitriles 1-azabicyclo[2.2.2]octane-7-carbonitrile

1-azabicyclo[2.2.2]octane-7-carbonitrile

CAS No.:
90196-91-1
Catalog Number:
AG006J1S
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
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Product Description
Catalog Number:
AG006J1S
Chemical Name:
1-azabicyclo[2.2.2]octane-7-carbonitrile
CAS Number:
90196-91-1
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD22571233
IUPAC Name:
1-azabicyclo[2.2.2]octane-2-carbonitrile
InChI:
InChI=1S/C8H12N2/c9-6-8-5-7-1-3-10(8)4-2-7/h7-8H,1-5H2
InChI Key:
NZOYWQFJJHBAAF-UHFFFAOYSA-N
SMILES:
N#CC1CC2CCN1CC2
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties