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Home > Other Heterocycles > 1193-66-4
1193-66-4 | 1,4-Diazabicyclo[2.2.2]octane, 2-methyl-
CAS No: 1193-66-4 Catalog No: AG000IJZ MDL No:MFCD21608233
Product Description
Catalog Number:
AG000IJZ
Chemical Name:
1,4-Diazabicyclo[2.2.2]octane, 2-methyl-
CAS Number:
1193-66-4
Molecular Formula:
C7H14N2
Molecular Weight:
126.1995
MDL Number:
MFCD21608233
IUPAC Name:
2-methyl-1,4-diazabicyclo[2.2.2]octane
InChI:
InChI=1S/C7H14N2/c1-7-6-8-2-4-9(7)5-3-8/h7H,2-6H2,1H3
InChI Key:
QXKMWFFBWDHDCB-UHFFFAOYSA-N
SMILES:
CC1CN2CCN1CC2
EC Number:
214-777-0
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.116g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.203g/mol
Monoisotopic Mass:
126.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| 1,2-Dimethyl-1,4-diazo-niabicyclo-[2.2.2]octane tetra-chloridocuprate(II). | Acta crystallographica. Section E, Structure reports online 20110801 |
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