Cas no 1028-36-0 (1H-Purine-2,6-dione, 7-hexyl-3,7-dihydro-1,3-dimethyl-)
1028-36-0 structure
Product Name:1H-Purine-2,6-dione, 7-hexyl-3,7-dihydro-1,3-dimethyl-
CAS No:1028-36-0
MF:C13H20N4O2
MW:264.323502540588
CID:95950
PubChem ID:23042528
Update Time:2025-04-18
1H-Purine-2,6-dione, 7-hexyl-3,7-dihydro-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione, 7-hexyl-3,7-dihydro-1,3-dimethyl-
- 7-hexyl-1,3-dimethylpurine-2,6-dione
- SCHEMBL10394216
- 7-Hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- DTXSID60629993
- 1028-36-0
- 7-hexyltheophylline
-
- Inchi： 1S/C13H20N4O2/c1-4-5-6-7-8-17-9-14-11-10(17)12(18)16(3)13(19)15(11)2/h9H,4-8H2,1-3H3
- InChI Key： OZKLIYQJGTXFKF-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN2CCCCCC)N(C)C(N1C)=O
Computed Properties
- Exact Mass: 264.158626g/mol
- Monoisotopic Mass: 264.158626g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 361
- 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
- Molecular Weight: 264.32g/mol
- XLogP3: 1.8
- Topological Polar Surface Area: 58.4?2
1H-Purine-2,6-dione, 7-hexyl-3,7-dihydro-1,3-dimethyl- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
1028-36-0 (1H-Purine-2,6-dione, 7-hexyl-3,7-dihydro-1,3-dimethyl-) Related Products
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