Cas no 61328-84-5 (1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7,8-trimethyl-)
61328-84-5 structure
Product Name:1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7,8-trimethyl-
CAS No:61328-84-5
MF:C10H14N4O2
MW:222.243761539459
CID:483776
PubChem ID:71396867
Update Time:2025-04-19
1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7,8-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7,8-trimethyl-
- 1-ethyl-3,7,8-trimethylpurine-2,6-dione
- DTXSID20818402
- 61328-84-5
- 1-Ethyl-3,7,8-trimethyl-3,7-dihydro-1H-purine-2,6-dione
-
- Inchi： 1S/C10H14N4O2/c1-5-14-9(15)7-8(13(4)10(14)16)11-6(2)12(7)3/h5H2,1-4H3
- InChI Key： BOUXNMSCLXJVQH-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=C(C)N2C)N(C)C(N1CC)=O
Computed Properties
- Exact Mass: 222.11182
- Monoisotopic Mass: 222.11167570g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 333
- 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: 0.3
- Topological Polar Surface Area: 58.4?2
Experimental Properties
- PSA: 58.44
1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7,8-trimethyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
61328-84-5 (1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7,8-trimethyl-) Related Products
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