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1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione

1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione structure

CAS No:
7499-82-3
Formula:
C12H18N4O2
Chemical Name:
1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione
Synonyms:
7499-82-3;1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione;NSC400052;DTXSID70321936;NSC-400052;3-(3-Methylbutyl)-1,7-dimethylxanthine;1,7-Dimethyl-3-(3'-methylbutyl)xanthine

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1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione Basic Attributes

Molecular Weight：

250.30 g/mol

Exact Mass：

250.14297583 g/mol

NSC Number：

400052

DSSTox ID：

DTXSID70321936

Characteristics

PSA：

58.4 Å²

Computed Properties

Molecular Weight:250.30
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:250.14297583
Monoisotopic Mass:250.14297583
Topological Polar Surface Area:58.4
Heavy Atom Count:18
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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