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1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione,hydrochloride

1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione,hydrochloride structure

CAS No:
1239-54-9
Formula:
C17H22ClN5O2
Chemical Name:
1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione,hydrochloride
Synonyms:
1,3-dimethyl-7-[2-(phenethylamino)ethyl]purine-2,6-dione hydrochloride; Theophylline,7-(2-(phenethylamino)ethyl)-,hydrochloride; 7-(2-(Phenethylamino)ethyl)theophylline hydrochloride; 1,3-dimethyl-7-{2-[(2-phenylethyl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione hydrochloride (1:1); 1,3-dimethyl-7-(2-phenethylamino-ethyl)-3,7-dihydro-purine-2,6-dione,hydrochloride; 1,3-Dimethyl-7-(2-phenaethylamino-aethyl)-3,7-dihydro-purin-2,6-dion,Hydrochlorid;Expand

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1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione,hydrochloride Basic Attributes

Molecular Weight：

363.84200

Exact Mass：

363.1462027 g/mol

DSSTox ID：

DTXSID60154139

Characteristics

PSA：

73.85000

XLogP3：

1.45890

Boiling Point：

563ºC

Flash Point：

294.3ºC

Vapor Pressure：

1.06E-12mmHg at 25°C

Computed Properties

Molecular Weight:363.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:363.1462027
Monoisotopic Mass:363.1462027
Topological Polar Surface Area:70.5
Heavy Atom Count:25
Complexity:466
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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