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8-butyl-1,3-dimethyl-7H-purine-2,6-dione

8-butyl-1,3-dimethyl-7H-purine-2,6-dione structure

CAS No:
35873-40-6
Formula:
C11H16N4O2
Chemical Name:
8-butyl-1,3-dimethyl-7H-purine-2,6-dione
Synonyms:
8-Butyltheophylline;35873-40-6;8-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;8-butyl-1,3-dimethyl-7H-purine-2,6-dione;8-Butyltheophyline;Theophylline, 8-butyl-;Xanthine, 8-butyl-1,3-dimethyl-;NSC 14116;BRN 0235783;8-Butyl-1,3-dimethyl-1,2,3,6-tetrahydro-2,6-dioxopurine;NSC14116;n-butyl theophylline;4-26-00-02478 (Beilstein Handbook Reference);8-butyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;SCHEMBL9406533;DTXSID60189426;ZINC8581197;1H-Purine-2,6-dione, 8-butyl-3,7-dihydro-1,3-dimethyl- (9CI);NSC-14116;1H-Purine-2, 8-butyl-3,7-dihydro-1,3-dimethyl-

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8-butyl-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

236.27 g/mol

Exact Mass：

236.12732577 g/mol

NSC Number：

14116

DSSTox ID：

DTXSID60189426

Characteristics

PSA：

69.3 Å²

Computed Properties

Molecular Weight:236.27
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:236.12732577
Monoisotopic Mass:236.12732577
Topological Polar Surface Area:69.3
Heavy Atom Count:17
Complexity:333
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-butyl-1,3-dimethyl-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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