Cas no 5438-77-7 (8-cyclohexyl-1,3-dimethyl-7H-purine-2,6-dione)
5438-77-7 structure
Product Name:8-cyclohexyl-1,3-dimethyl-7H-purine-2,6-dione
CAS No:5438-77-7
MF:C13H18N4O2
MW:262.307622432709
CID:859025
Update Time:2026-04-29
8-cyclohexyl-1,3-dimethyl-7H-purine-2,6-dione Chemical and Physical Properties
Names and Identifiers
-
- 8-cyclohexyl-1,3-dimethyl-7H-purine-2,6-dione
- 8-cyclohexyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
- 8-cyclohexyl-1,3-dimethyl-3,9-dihydro-1h-purine-2,6-dione
- 8-Cyclohexyl-theophyllin
- 8-Cyclohexyltheophylline
- AC1L5DVR
- AC1Q6LAV
- CHEBI:273575
- CHEMBL321505
- CTK5A0799
- N1,N3-dimethyl-8-cyclohexylxanthine
- NSC14383
- Oprea1_813413
- SureCN515967
-
Computed Properties
- Exact Mass: 262.14314
- Monoisotopic Mass: 262.143
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 394
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
Experimental Properties
- Density: 1.285
- Boiling Point: 519.2°C at 760 mmHg
- Flash Point: 267.8°C
- Refractive Index: 1.591
- PSA: 69.3
- LogP: 1.00800
8-cyclohexyl-1,3-dimethyl-7H-purine-2,6-dione Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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