1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-


Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-
CAS Number: 611-59-6
Product Number: AG003TK0(AGN-PC-09TCWC)
Synonyms:
MDL No:
Molecular Formula: C7H8N4O2
Molecular Weight: 180.1640

Identification/Properties


Properties
MP:
294-296 °C(lit.)
BP:
312.97°C (rough estimate)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.6700 (estimate)
Solubility:
ethanol: 0.6mg/mL
Computed Properties
Molecular Weight:
180.167g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
180.065g/mol
Monoisotopic Mass:
180.065g/mol
Topological Polar Surface Area:
67.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
267
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


NMR Spectrum


Other Analytical Data


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