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3,7-Dihydro-3,7-dimethyl-1-propyl-1H-purine-2,6-dione

3,7-Dihydro-3,7-dimethyl-1-propyl-1H-purine-2,6-dione structure

CAS No:
63906-63-8
Formula:
C10H14N4O2
Chemical Name:
3,7-Dihydro-3,7-dimethyl-1-propyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-propyl-;3,7-Dihydro-3,7-dimethyl-1-propyl-1H-purine-2,6-dione;1-Propyl-3,7-dimethylxanthine;3,7-Dimethyl-1-propylxanthine;NSC 74791;3,7-Dimethyl-1-propyl-1H-purine-2,6(3H,7H)-dione

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3,7-Dihydro-3,7-dimethyl-1-propyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

222.24 g/mol

Exact Mass：

222.24

NSC Number：

74791

DSSTox ID：

DTXSID20213579

Characteristics

PSA：

58.4 Å²

Melting Point：

136 °C

Water Solubility：

0.06 M

Computed Properties

Molecular Weight:222.24
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:222.11167570
Monoisotopic Mass:222.11167570
Topological Polar Surface Area:58.4
Heavy Atom Count:16
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dihydro-3,7-dimethyl-1-propyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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