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1,3-dimethyl-7-phenylpurine-2,6-dione

1,3-dimethyl-7-phenylpurine-2,6-dione structure

CAS No:
960-61-2
Formula:
C13H12N4O2
Chemical Name:
1,3-dimethyl-7-phenylpurine-2,6-dione
Synonyms:
Theophylline,7-phenyl; 1,3-dimethyl-7-phenyl-1H-purine-2,6(3H,7H)-dione; 7-Phenyltheophyllin; 3,7-Dihydro-7-phenyl-1,3-dimethyl-1H-purine-2,6-dione; 1H-Purine-2,6-dione,3,7-dihydro-7-phenyl-1,3-dimethyl; 7-Phenyltheophylline; 1,3-dimethyl-7-phenyl-3,7-dihydro-purine-2,6-dione;Expand

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1,3-dimethyl-7-phenylpurine-2,6-dione Basic Attributes

Molecular Weight：

256.26000

Exact Mass：

256.09602564 g/mol

DSSTox ID：

DTXSID90242078

Characteristics

PSA：

61.82000

XLogP3：

0.42290

Density：

1.37g/cm3

Boiling Point：

464.4ºC

Flash Point：

234.7ºC

Refractive Index：

1.688

Computed Properties

Molecular Weight:256.26
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:256.09602564
Monoisotopic Mass:256.09602564
Topological Polar Surface Area:58.4
Heavy Atom Count:19
Complexity:394
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-7-phenylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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