Home Nitriles 1,4-diazabicyclo[2.2.2]octane-2-carbonitrile

1,4-diazabicyclo[2.2.2]octane-2-carbonitrile

CAS No.:
1394774-46-9
Catalog Number:
AG019YV6
Molecular Formula:
C7H11N3
Molecular Weight:
137.1823
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Product Description
Catalog Number:
AG019YV6
Chemical Name:
1,4-diazabicyclo[2.2.2]octane-2-carbonitrile
CAS Number:
1394774-46-9
Molecular Formula:
C7H11N3
Molecular Weight:
137.1823
MDL Number:
MFCD22391914
IUPAC Name:
1,4-diazabicyclo[2.2.2]octane-2-carbonitrile
InChI:
InChI=1S/C7H11N3/c8-5-7-6-9-1-3-10(7)4-2-9/h7H,1-4,6H2
InChI Key:
IQWWVMDVUGEKPA-UHFFFAOYSA-N
SMILES:
N#CC1CN2CCN1CC2
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.095g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.186g/mol
Monoisotopic Mass:
137.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties