1H-Purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl-


Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl-
CAS Number: 85872-53-3
Product Number: AG004NI6(AGN-PC-0JMLHA)
Synonyms:
MDL No:
Molecular Formula: C17H20N4O2
Molecular Weight: 312.3663

Identification/Properties


Computed Properties
Molecular Weight:
312.373g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
312.159g/mol
Monoisotopic Mass:
312.159g/mol
Topological Polar Surface Area:
69.3A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
450
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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