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Home > Other Heterocycles > 18955-81-2
18955-81-2 | 1-Azabicyclo[2.2.2]octane-4-carboxamide
CAS No: 18955-81-2 Catalog No: AG002DR2 MDL No:
Product Description
Catalog Number:
AG002DR2
Chemical Name:
1-Azabicyclo[2.2.2]octane-4-carboxamide
CAS Number:
18955-81-2
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
IUPAC Name:
1-azabicyclo[2.2.2]octane-4-carboxamide
InChI:
InChI=1S/C8H14N2O/c9-7(11)8-1-4-10(5-2-8)6-3-8/h1-6H2,(H2,9,11)
InChI Key:
IJHIBDLDUXFQNB-UHFFFAOYSA-N
SMILES:
NC(=O)C12CCN(CC1)CC2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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