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7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione

7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione structure

CAS No:
62401-81-4
Formula:
C18H23N5O4
Chemical Name:
7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione
Synonyms:
D 1964; 7-{3-[2-hydroxy-2-(4-hydroxy-phenyl)-ethylamino]-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; Theophylline,7-(3-((2-hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl); 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline;

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7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

373.40600

Exact Mass：

373.17500423

Characteristics

PSA：

114.31000

XLogP3：

0.24350

Density：

1.4g/cm3

Boiling Point：

670.4ºC at 760 mmHg

Flash Point：

359.2ºC

Refractive Index：

1.666

Computed Properties

Molecular Weight:373.4
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:373.17500423
Monoisotopic Mass:373.17500423
Topological Polar Surface Area:111
Heavy Atom Count:27
Complexity:540
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: copper hydroxide; no2 molar mass; 2-chlorobenzoic acid; p4o10; carbon tetrachloride formula; difenidol

Guide of 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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