2,5-Diazabicyclo[2.2.2]octane-3,6-dione


Chemical Name: 2,5-Diazabicyclo[2.2.2]octane-3,6-dione
CAS Number: 1004-98-4
Product Number: AG0001XT(AGN-PC-00JSF5)
Synonyms:
MDL No:
Molecular Formula: C6H8N2O2
Molecular Weight: 140.1399

Identification/Properties


Computed Properties
Molecular Weight:
140.142g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
140.059g/mol
Monoisotopic Mass:
140.059g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
180
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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