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1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)propyl]purine-2,6-dione

1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)propyl]purine-2,6-dione structure

CAS No:
133563-07-2
Formula:
C19H25N5O2
Chemical Name:
1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)propyl]purine-2,6-dione
Synonyms:
7-ethyl>theophyllin; 1,3-dimethyl-7-{2-[methyl-(1-methyl-2-phenyl-ethyl)-amino]-ethyl}-3,7-dihydro-purine-2,6-dione; 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[methyl(1-methyl-2-phenylethyl)amino]ethyl]-,(-);

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1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)propyl]purine-2,6-dione Basic Attributes

Molecular Weight：

355.43400

Exact Mass：

355.20082506 g/mol

Characteristics

PSA：

73.85000

XLogP3：

1.43390

Density：

1.21g/cm3

Boiling Point：

553.3ºC

Flash Point：

288.4ºC

Refractive Index：

1.618

Vapor Pressure：

2.76E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

7-(2-(1-methyl-2-phenyl-ethylamino)propyl)theophylline

Computed Properties

Molecular Weight:355.4
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:355.20082506
Monoisotopic Mass:355.20082506
Topological Polar Surface Area:61.7
Heavy Atom Count:26
Complexity:522
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)propyl]purine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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