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1,3,7-trimethyl-8-(3-methylbutoxy)purine-2,6-dione

1,3,7-trimethyl-8-(3-methylbutoxy)purine-2,6-dione structure

CAS No:
31542-46-8
Formula:
C13H20N4O3
Chemical Name:
1,3,7-trimethyl-8-(3-methylbutoxy)purine-2,6-dione
Synonyms:
CHEMBL1806766;31542-46-8;NSC11282;8-(3-Methylbutoxy)Caffeine;DTXSID50279103;BDBM50348842;NSC-11282

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1,3,7-trimethyl-8-(3-methylbutoxy)purine-2,6-dione Basic Attributes

Molecular Weight：

280.32 g/mol

Exact Mass：

280.15354051 g/mol

NSC Number：

11282

DSSTox ID：

DTXSID50279103

Characteristics

PSA：

67.7 Å²

Computed Properties

Molecular Weight:280.32
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:280.15354051
Monoisotopic Mass:280.15354051
Topological Polar Surface Area:67.7
Heavy Atom Count:20
Complexity:401
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-8-(3-methylbutoxy)purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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