Cas no 152534-48-0 (1H-Purine-2,6-dione,1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-)
152534-48-0 structure
Product Name:1H-Purine-2,6-dione,1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-
CAS No:152534-48-0
MF:C22H28N4O2
MW:380.483325004578
CID:189452
PubChem ID:3073779
Update Time:2025-04-19
1H-Purine-2,6-dione,1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-
- 1,3-Bis(cyclopropylmethyl)-8-(3-noradamantyl)xanthine
- 152534-48-0
- SCHEMBL9427364
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-
- 1,3-Bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-1H-purine-2,6-dione
- L009433
- DTXSID50934528
-
- Inchi： 1S/C22H28N4O2/c27-19-17-18(25(10-12-1-2-12)21(28)26(19)11-13-3-4-13)24-20(23-17)22-8-14-5-15(9-22)7-16(22)6-14/h12-16H,1-11H2,(H,23,24)
- InChI Key： LJACMDNJYOLHRX-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N(C(N1CC1CC1)=O)CC1CC1)N=C(C13CC4CC(CC1C4)C3)N2
Computed Properties
- Exact Mass: 380.22144
- Monoisotopic Mass: 380.221
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 718
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 69.3?2
Experimental Properties
- Density: 1.42
- Boiling Point: 625.8°C at 760 mmHg
- Flash Point: 332.3°C
- Refractive Index: 1.69
- PSA: 69.3
1H-Purine-2,6-dione,1,3-bis(cyclopropylmethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro- Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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