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69491-39-0 | 1,4-Diazabicyclo[2.2.2]octane-2-carboxamide,N,N-dimethyl-(9CI)
CAS No: 69491-39-0 Catalog No: AG005L6P MDL No:
Product Description
Catalog Number:
AG005L6P
Chemical Name:
1,4-Diazabicyclo[2.2.2]octane-2-carboxamide,N,N-dimethyl-(9CI)
CAS Number:
69491-39-0
Molecular Formula:
C9H17N3O
Molecular Weight:
183.2508
IUPAC Name:
N,N-dimethyl-1,4-diazabicyclo[2.2.2]octane-2-carboxamide
InChI:
InChI=1S/C9H17N3O/c1-10(2)9(13)8-7-11-3-5-12(8)6-4-11/h8H,3-7H2,1-2H3
InChI Key:
OZMDHQCFBVMIEA-UHFFFAOYSA-N
SMILES:
CN(C(=O)C1CN2CCN1CC2)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.255g/mol
Monoisotopic Mass:
183.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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