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7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione

7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione structure

CAS No:
19971-80-3
Formula:
C20H25ClN6O2
Chemical Name:
7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Synonyms:
7-{2-[4-(4-chloro-benzyl)-piperazin-1-yl]-ethyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; Theophylline,7-(2-(4-(p-chlorobenzyl)-1-piperazinyl)ethyl); 7-{2-[4-(4-chlorobenzyl)piperazin-1-yl]ethyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 7-(2-(4-(p-Chlorobenzyl)-1-piperazinyl)ethyl)theophylline;

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7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

416.90500

Exact Mass：

416.1727518 g/mol

DSSTox ID：

DTXSID40173767

Characteristics

PSA：

68.30000

XLogP3：

0.78070

Density：

1.38g/cm3

Boiling Point：

617.7ºC

Flash Point：

327.4ºC

Refractive Index：

1.676

Vapor Pressure：

3.45E-15mmHg at 25°C

Computed Properties

Molecular Weight:416.9
XLogP3:1.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:416.1727518
Monoisotopic Mass:416.1727518
Topological Polar Surface Area:64.9
Heavy Atom Count:29
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl alcohol formula; hexanoate; ammonium carbonate; iodoform; cyclohexanol; n-methyl-2-pyrrolidone

Guide of 7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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