Cas no 132560-06-6 (1-methyl-3-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione)
132560-06-6 structure
Product Name:1-methyl-3-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS No:132560-06-6
MF:C14H14N4O2
MW:270.28656244278
CID:1230596
PubChem ID:3076824
Update Time:2025-04-20
1-methyl-3-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-3-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
- 1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
- 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-phenylethyl)-
- Xanthine, 1-methyl-3-phenethyl-
- 132560-06-6
- DTXSID60157625
- BRN 4202435
-
- Inchi： 1S/C14H14N4O2/c1-17-13(19)11-12(16-9-15-11)18(14(17)20)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)
- InChI Key： ICAXBBVKDJEQCZ-UHFFFAOYSA-N
- SMILES： O=C1N(C)C(C2=C(N=CN2)N1CCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 269.10399
- Monoisotopic Mass: 270.11167570g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 395
- 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: 2.1
- Topological Polar Surface Area: 69.3?2
Experimental Properties
- PSA: 66.4
1-methyl-3-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
132560-06-6 (1-methyl-3-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione) Related Products
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