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Structure

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

CAS
73747-33-8
Catalog Number
ACM73747338
Category
Other Products
Molecular Weight
278.307 g/mol
Molecular Formula
C13H18N4O3

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Specification

Synonyms
8-(Cyclopentyloxy)caffeine, MLS002703880, CAFFEINE, 8-(CYCLOPENTYLOXY)-, NSC106196, NSC 106196, CID52354, LS-48573, SMR001570594, 1H-Purine-2,6-dione, 8-(cyclopentyloxy)-3,7-dihydro-1,3,7-trimethyl-, 73747-33-8, 1H-Purine-2,6-dione, 8-(cyclopentyloxy)-3,7-dihydro-1,3,7-trimethyl- (9CI)
IUPAC Name
8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione
Canonical SMILES
CN1C2=C(N=C1OC3CCCC3)N(C(=O)N(C2=O)C)C
InChI Key
DBMKBAZKDMFYLG-UHFFFAOYSA-N
Boiling Point
461ºC at 760 mmHg
Flash Point
232.6ºC
Density
1.45g/cm³
Exact Mass
278.13800
H-Bond Acceptor
4
H-Bond Donor
0
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