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7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione,hydrochloride

7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione,hydrochloride structure

CAS No:
1703-49-7
Formula:
C16H20ClN5O2
Chemical Name:
7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione,hydrochloride
Synonyms:
(p-Dimethylamino benzyl)-7 dimethyl-1,3 xanthine chlorhydrate [French]; LJ 278; 1H-Purine-2,6-dione,7-((4-(dimethylamino)phenyl)methyl)-3,7-dihydro-1,3-dimethyl-,monohydrochloride; p-Dimethylamino-benzyl theophylline chlorhydrate [French]; Theophylline,7-(p-(dimethylamino)benzyl)-,hydrochloride; 7-[4-(dimethylamino)benzyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione hydrochloride(1:1);Expand

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7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione,hydrochloride Basic Attributes

Molecular Weight：

349.81500

Exact Mass：

349.1305526 g/mol

DSSTox ID：

DTXSID20168838

Characteristics

PSA：

65.06000

XLogP3：

1.35000

Boiling Point：

535.8ºC

Flash Point：

277.9ºC

Vapor Pressure：

1.48E-11mmHg at 25°C

Computed Properties

Molecular Weight:349.81
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:349.1305526
Monoisotopic Mass:349.1305526
Topological Polar Surface Area:61.7
Heavy Atom Count:24
Complexity:475
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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