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8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione

8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione structure

CAS No:
73747-33-8
Formula:
C13H18N4O3
Chemical Name:
8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,8-(cyclopentyloxy)-3,7-dihydro-1,3,7-trimethyl; CAFFEINE,8-(CYCLOPENTYLOXY); 8-(Cyclopentyloxy)caffeine;

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8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

278.30700

Exact Mass：

278.13789045 g/mol

UNII：

P1RQJ61TKA

NSC Number：

106196

DSSTox ID：

DTXSID50224072

Characteristics

PSA：

71.05000

XLogP3：

0.29210

Density：

1.45g/cm3

Boiling Point：

461ºC

Flash Point：

232.6ºC

Refractive Index：

1.676

Computed Properties

Molecular Weight:278.31
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:278.13789045
Monoisotopic Mass:278.13789045
Topological Polar Surface Area:67.7
Heavy Atom Count:20
Complexity:424
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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