3-Cyclobutene-1,2-dione, 3,4-diamino-


Chemical Name: 3-Cyclobutene-1,2-dione, 3,4-diamino-
CAS Number: 5231-89-0
Product Number: AG00D8Y4(AGN-PC-0KL0VF)
Synonyms:
MDL No:
Molecular Formula: C4H4N2O2
Molecular Weight: 112.0868

Identification/Properties


Properties
BP:
213.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
112.088g/mol
XLogP3:
-1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
112.027g/mol
Monoisotopic Mass:
112.027g/mol
Topological Polar Surface Area:
86.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
182
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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