Cas no 75914-87-3 (1H-Purine-2,6-dione,3-(2,2-dimethylpropyl)-3,9-dihydro-)
75914-87-3 structure
Product Name:1H-Purine-2,6-dione,3-(2,2-dimethylpropyl)-3,9-dihydro-
CAS No:75914-87-3
MF:C10H14N4O2
MW:222.243761539459
CID:571537
PubChem ID:3059000
Update Time:2025-04-19
1H-Purine-2,6-dione,3-(2,2-dimethylpropyl)-3,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,3-(2,2-dimethylpropyl)-3,9-dihydro-
- 3-(2,2-dimethylpropyl)-7H-purine-2,6-dione
- D 4034
- SCHEMBL10980302
- 75914-87-3
- JJWWTHLTVJGGOA-UHFFFAOYSA-N
- 1H-Purine-2,6-dione, 3,7-dihydro-3-(2,2-dimethylpropyl)-
- 3,7-Dihydro-3-(2,2-dimethylpropyl)-1H-purine-2,6-dione
- DTXSID70226836
-
- Inchi： 1S/C10H14N4O2/c1-10(2,3)4-14-7-6(11-5-12-7)8(15)13-9(14)16/h5H,4H2,1-3H3,(H,11,12)(H,13,15,16)
- InChI Key： JJWWTHLTVJGGOA-UHFFFAOYSA-N
- SMILES： O=C1NC(C2=C(N=CN2)N1CC(C)(C)C)=O
Computed Properties
- Exact Mass: 222.112
- Monoisotopic Mass: 222.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 323
- 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: 1.2
- Topological Polar Surface Area: 78.1?2
Experimental Properties
- Density: 1.269
- Refractive Index: 1.561
1H-Purine-2,6-dione,3-(2,2-dimethylpropyl)-3,9-dihydro- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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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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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
75914-87-3 (1H-Purine-2,6-dione,3-(2,2-dimethylpropyl)-3,9-dihydro-) Related Products
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