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1,3-dimethyl-8-(3-methylbutyl)-7H-purine-2,6-dione

1,3-dimethyl-8-(3-methylbutyl)-7H-purine-2,6-dione structure

CAS No:
5443-07-2
Formula:
C12H18N4O2
Chemical Name:
1,3-dimethyl-8-(3-methylbutyl)-7H-purine-2,6-dione
Synonyms:
5443-07-2;1,3-dimethyl-8-(3-methylbutyl)-3,7-dihydro-1h-purine-2,6-dione;NSC14122;DTXSID10279785;ZINC8581200;NSC-14122

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1,3-dimethyl-8-(3-methylbutyl)-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

250.30 g/mol

Exact Mass：

250.14297583 g/mol

NSC Number：

14122

DSSTox ID：

DTXSID10279785

Characteristics

PSA：

69.3 Å²

Computed Properties

Molecular Weight:250.30
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:250.14297583
Monoisotopic Mass:250.14297583
Topological Polar Surface Area:69.3
Heavy Atom Count:18
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-8-(3-methylbutyl)-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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