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7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione

7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione structure

CAS No:
314-92-1
Formula:
C20H27N5O3
Chemical Name:
7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione
Synonyms:
314-92-1;7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline;Theophylline, 7-(2-diethylaminoethyl)-8-(alpha-hydroxybenzyl)-;7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;Benzyl alcohol, alpha-(1,2,3,6-tetrahydro-7-(2-diethylaminoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl)-;DTXSID50953436;7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline;7-[2-(Diethylamino)ethyl]-8-(hydroxyphenylmethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

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7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

385.5 g/mol

Exact Mass：

385.21138974 g/mol

Characteristics

PSA：

81.9 Å²

Computed Properties

Molecular Weight:385.5
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:385.21138974
Monoisotopic Mass:385.21138974
Topological Polar Surface Area:81.9
Heavy Atom Count:28
Complexity:564
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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