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8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione

8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione structure

CAS No:
111038-28-9
Formula:
C14H23N5O4
Chemical Name:
8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Synonyms:
3,7-Dihydro-8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione; 1H-Purine-2,6-dione,8-(butylamino)-7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl; 7-(2,3-Dihydroxypropyl)-8-butylaminotheophylline; 1H-Purine-2,6-dione,3,7-dihydro-8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl;

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8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

325.36400

Exact Mass：

325.17500423

Characteristics

PSA：

117.54000

XLogP3：

-1.57920

Density：

1.41g/cm3

Boiling Point：

581.8ºC

Flash Point：

305.6ºC

Refractive Index：

1.641

Vapor Pressure：

2.24E-14mmHg at 25°C

Computed Properties

Molecular Weight:325.36
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:325.17500423
Monoisotopic Mass:325.17500423
Topological Polar Surface Area:111
Heavy Atom Count:23
Complexity:449
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: lewis structure of bh3; uranium oxide; cefepine; isopentane; ambroxol; alpha pinene

Guide of 8-(butylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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