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7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione structure

CAS No:
1021-65-4
Formula:
C11H16N4O2
Chemical Name:
7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,7-butyl-3,7-dihydro-1,3-dimethyl-;Theophylline,7-butyl-;7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;7-Butyltheophylline;7-Butyl-1,3-dimethylxanthine

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7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

236.27 g/mol

Exact Mass：

236.27

UNII：

N2R6WU63DY

DSSTox ID：

DTXSID60144636

Characteristics

PSA：

58.4 Å²

Melting Point：

102-103 °C

Water Solubility：

0.02 M

Computed Properties

Molecular Weight:236.27
XLogP3:0.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:236.12732577
Monoisotopic Mass:236.12732577
Topological Polar Surface Area:58.4
Heavy Atom Count:17
Complexity:333
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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