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7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione

7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione structure

CAS No:
78960-48-2
Formula:
C20H27N5O6
Chemical Name:
7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione
Synonyms:
7-(2,3-Dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)theophylline; Theophylline,7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino);

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7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

433.45800

Exact Mass：

433.19613360

Characteristics

PSA：

136.00000

XLogP3：

-1.11940

Density：

1.4g/cm3

Boiling Point：

695.6ºC at 760 mmHg

Flash Point：

374.5ºC

Refractive Index：

1.633

Computed Properties

Molecular Weight:433.5
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:433.19613360
Monoisotopic Mass:433.19613360
Topological Polar Surface Area:129
Heavy Atom Count:31
Complexity:639
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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