8-(Cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione

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Catalog Number
ACM73747327
Product Name
8-(Cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione
Structure
Structure
CAS
73747-32-7
Category
Heterocyclic Organic Compound
Synonyms
8-(Cyclopentylmethyl)caffeine, NCIOpen2_006784, NSC101816, CAFFEINE, 8-(CYCLOPENTYLMETHYL)-, NSC 101816, CID52353, LS-48572, 1H-Purine-2,6-dione, 8-(cyclopentylmethyl)-3,7-dihydro-1,3,7-trimethyl-, 73747-32-7, 1H-Purine-2,6-dione, 8-(cyclopentylmethyl)-3,7-dihydro-1,3,7-trimethyl- (9CI)
IUPAC Name
8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione
Molecular Weight
276.334 g/mol
Molecular Formula
C14H20N4O2
Canonical SMILES
CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3CCCC3
InChI Key
SULCDSJHCRJOLW-UHFFFAOYSA-N
Boiling Point
474.6ºC at 760 mmHg
Flash Point
240.9ºC
Density
1.37g/cm³
Exact Mass
276.15900
H-Bond Acceptor
3
H-Bond Donor
0
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