Cas no 152534-51-5 (1H-Purine-2,6-dione,1,3-dicyclopropyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-)
152534-51-5 structure
Product Name:1H-Purine-2,6-dione,1,3-dicyclopropyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-
CAS No:152534-51-5
MF:C20H24N4O2
MW:352.430164337158
CID:157689
PubChem ID:3073781
Update Time:2025-04-19
1H-Purine-2,6-dione,1,3-dicyclopropyl-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-dicyclopropyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-
- 1,3-Dicyclopropyl-8-(3-noradamantyl)xanthine
- DTXSID10934529
- 1,3-Dicyclopropyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-1H-purine-2,6-dione
- SCHEMBL9427331
- 152534-51-5
- L009434
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dicyclopropyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)
-
- Inchi： 1S/C20H24N4O2/c25-17-15-16(23(13-1-2-13)19(26)24(17)14-3-4-14)22-18(21-15)20-8-10-5-11(9-20)7-12(20)6-10/h10-14H,1-9H2,(H,21,22)
- InChI Key： UHZXYJYQXTUMGD-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N(C(N1C1CC1)=O)C1CC1)N=C(C13CC4CC(CC1C4)C3)N2
Computed Properties
- Exact Mass: 352.19012
- Monoisotopic Mass: 352.19
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 688
- 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: 3.3
- Topological Polar Surface Area: 69.3?2
Experimental Properties
- Density: 1.546
- Boiling Point: 613.8°Cat760mmHg
- Flash Point: 325°C
- Refractive Index: 1.753
- PSA: 69.3
1H-Purine-2,6-dione,1,3-dicyclopropyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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