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Home > Other Heterocycles > 45733-46-8
45733-46-8 | 1,4-Diazoniabicyclo[2.2.2]octane, 1,4-dimethyl-
CAS No: 45733-46-8 Catalog No: AG006YT2 MDL No:
Product Description
Catalog Number:
AG006YT2
Chemical Name:
1,4-Diazoniabicyclo[2.2.2]octane, 1,4-dimethyl-
CAS Number:
45733-46-8
Molecular Formula:
C8H18N2++
Molecular Weight:
142.2419
IUPAC Name:
1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
InChI:
InChI=1S/C8H18N2/c1-9-3-6-10(2,7-4-9)8-5-9/h3-8H2,1-2H3/q+2
InChI Key:
SESBXFAPJKDPLA-UHFFFAOYSA-N
SMILES:
C[N+]12CC[N+](CC1)(CC2)C
NSC Number:
286680
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.147g/mol
Formal Charge:
2
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.246g/mol
Monoisotopic Mass:
142.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate. | Acta crystallographica. Section C, Crystal structure communications 20051101 |
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