Cas no 7464-82-6 (1H-Purine-2,6-dione,3-butyl-3,7-dihydro-1,7-dimethyl-)
7464-82-6 structure
Product Name:1H-Purine-2,6-dione,3-butyl-3,7-dihydro-1,7-dimethyl-
CAS No:7464-82-6
MF:C11H16N4O2
MW:236.270341873169
CID:578911
PubChem ID:343635
Update Time:2025-04-19
1H-Purine-2,6-dione,3-butyl-3,7-dihydro-1,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,3-butyl-3,7-dihydro-1,7-dimethyl-
- 3-butyl-1,7-dimethylpurine-2,6-dione
- DTXSID80321927
- NSC-400041
- NSC400041
- 7464-82-6
-
- Inchi： 1S/C11H16N4O2/c1-4-5-6-15-9-8(13(2)7-12-9)10(16)14(3)11(15)17/h7H,4-6H2,1-3H3
- InChI Key： LDYDPOMEZGHKTD-UHFFFAOYSA-N
- SMILES： O=C1N(C)C(C2=C(N=CN2C)N1CCCC)=O
Computed Properties
- Exact Mass: 236.12748
- Monoisotopic Mass: 236.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- 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: 1.2
- Topological Polar Surface Area: 58.4?2
Experimental Properties
- Density: 1.29
- Boiling Point: 434.5°Cat760mmHg
- Flash Point: 216.6°C
- Refractive Index: 1.624
- PSA: 58.44
1H-Purine-2,6-dione,3-butyl-3,7-dihydro-1,7-dimethyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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