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8-Amino-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

8-Amino-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione structure

CAS No:
19410-53-8
Formula:
C7H9N5O2
Chemical Name:
8-Amino-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,8-amino-3,9-dihydro-1,3-dimethyl-;Theophylline,8-amino-;1H-Purine-2,6-dione,8-amino-3,7-dihydro-1,3-dimethyl-;8-Amino-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione;8-Aminotheophylline;NSC 14357

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8-Amino-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

195.18 g/mol

Exact Mass：

195.18

NSC Number：

14357

DSSTox ID：

DTXSID20173028

Characteristics

PSA：

95.3 Å²

Melting Point：

>300 °C

Computed Properties

Molecular Weight:195.18
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:195.07562455
Monoisotopic Mass:195.07562455
Topological Polar Surface Area:95.3
Heavy Atom Count:14
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-Amino-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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