Cas no 60208-12-0 (1H-Purine-2,6-dione,3,7-dihydrodimethyl- (9CI))
60208-12-0 structure
Product Name:1H-Purine-2,6-dione,3,7-dihydrodimethyl- (9CI)
CAS No:60208-12-0
MF:C7H8N4O2
MW:180.16402053833
CID:528990
PubChem ID:185974
Update Time:2025-04-19
1H-Purine-2,6-dione,3,7-dihydrodimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Purine-2,6-dione,3,7-dihydrodimethyl- (9CI)
- 7,8-dimethyl-3H-purine-2,6-dione
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- Inchi： 1S/C7H8N4O2/c1-3-8-5-4(11(3)2)6(12)10-7(13)9-5/h1-2H3,(H2,9,10,12,13)
- InChI Key： FAKYNVGUWKZRSQ-UHFFFAOYSA-N
- SMILES： O=C1C2=C(NC(N1)=O)N=C(C)N2C
Computed Properties
- Exact Mass: 180.06484
- Monoisotopic Mass: 180.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 267
- 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: _0.5
- Topological Polar Surface Area: 76?2
Experimental Properties
- Density: 1.7
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.772
- PSA: 76.02
1H-Purine-2,6-dione,3,7-dihydrodimethyl- (9CI) Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
60208-12-0 (1H-Purine-2,6-dione,3,7-dihydrodimethyl- (9CI)) Related Products
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- 611-59-6(Paraxanthine)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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