Cas no 81250-25-1 (1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl-)
81250-25-1 structure
Product Name:1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl-
CAS No:81250-25-1
MF:C13H20N4O2
MW:264.323502540588
CID:986555
PubChem ID:3067314
Update Time:2025-04-20
1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl-
- 8-methyl-3-(2-methylpropyl)-1-propyl-7H-purine-2,6-dione
- SCHEMBL10855561
- 81250-25-1
- 1-Propyl-3-isobutyl-8-methylxanthine
- 3-Isobutyl-8-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione
- 8-methyl-3-(2-methylpropyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- 3,7-Dihydro-8-methyl-3-(2-methylpropyl)-1-propyl-1H-purine-2,6-dione
- DTXSID20230983
-
- Inchi： 1S/C13H20N4O2/c1-5-6-16-12(18)10-11(15-9(4)14-10)17(13(16)19)7-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)
- InChI Key： MXCWVLPCPQZMFT-UHFFFAOYSA-N
- SMILES： O=C1N(C(C2=C(N=C(C)N2)N1CC(C)C)=O)CCC
Computed Properties
- Exact Mass: 264.159
- Monoisotopic Mass: 264.159
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 372
- 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: 3.2
- Topological Polar Surface Area: 69.3?2
Experimental Properties
- Density: 1.178
- Boiling Point: 477.5°C at 760 mmHg
- Flash Point: 242.6°C
- Refractive Index: 1.546
1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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