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Structure

8-Cyclopentyl-1,3-dimethylxanthine

CAS
35873-49-5
Catalog Number
ACM35873495
Category
Other Products
Molecular Weight
248.28
Molecular Formula
C12H16N4O2

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Specification

Synonyms
8-cyclopentyltheophylline, Cyclopentyltheophylline, 8-Cyclopentyl-1,3-dimethylxanthine, 8-Cyclopentyl theophylline, Spectrum_000351, Lopac-C-102, Spectrum2_001734, Spectrum3_000658, Spectrum4_000760, Spectrum5_001769, Theophylline, 8-cyclopentyl-, Ambmdy02300193, C102_SIGMA, NCIOpen2_006919, Lopac0_000391, BSPBio_002295, KBioGR_001120, KBioSS_000831, MLS000859932, DivK1c_000824
IUPAC Name
8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3
InChI Key
SCVHFRLUNIOSGI-UHFFFAOYSA-N
Boiling Point
513.1ºC at 760mmHg
Melting Point
250-252ºC
Flash Point
264.1ºC
Density
1.332g/cm³
Exact Mass
248.12700
H-Bond Acceptor
3
H-Bond Donor
1
WGK Germany
3
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