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8-ethyl-1,3-dimethyl-7-(2-piperidin-1-ylethoxy)purine-2,6-dione

8-ethyl-1,3-dimethyl-7-(2-piperidin-1-ylethoxy)purine-2,6-dione structure

CAS No:
19729-84-1
Formula:
C16H25N5O3
Chemical Name:
8-ethyl-1,3-dimethyl-7-(2-piperidin-1-ylethoxy)purine-2,6-dione
Synonyms:
Theophylline,8-ethyl-7-(2-piperidinoethoxy); 8-ethyl-1,3-dimethyl-7-[2-(piperidin-1-yl)ethoxy]-3,7-dihydro-1h-purine-2,6-dione; 8-Ethyl-7-(2-piperidinoethoxy)theophylline; GD 096;

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8-ethyl-1,3-dimethyl-7-(2-piperidin-1-ylethoxy)purine-2,6-dione Basic Attributes

Molecular Weight：

335.40100

Exact Mass：

335.19573968 g/mol

DSSTox ID：

DTXSID70173396

Characteristics

PSA：

74.29000

XLogP3：

-0.15150

Density：

1.33g/cm3

Boiling Point：

508ºC

Flash Point：

261ºC

Refractive Index：

1.636

Vapor Pressure：

1.93E-10mmHg at 25°C

Computed Properties

Molecular Weight:335.40
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:335.19573968
Monoisotopic Mass:335.19573968
Topological Polar Surface Area:70.9
Heavy Atom Count:24
Complexity:482
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-ethyl-1,3-dimethyl-7-(2-piperidin-1-ylethoxy)purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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