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3,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione

3,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione structure

CAS No:
24890-70-8
Formula:
C17H21N5O2
Chemical Name:
3,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-;Theophylline,7-[3-(benzylamino)propyl]-;3,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione;7-(N-Benzyl-3-aminopropyl)theophylline;7-(γ-Benzylaminopropyl)theophylline;7-[3-(Benzylamino)propyl]theophylline

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3,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

327.38094

Exact Mass：

327.38

EC Number：

246-518-2

DSSTox ID：

DTXSID60179589

Characteristics

PSA：

70.5

XLogP3：

0.9

Computed Properties

Molecular Weight:327.4
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:327.16952493
Monoisotopic Mass:327.16952493
Topological Polar Surface Area:70.5
Heavy Atom Count:24
Complexity:466
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

3,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione

SDS

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