Cas no 51385-35-4 ( )
structure
Product Name:
CAS No:51385-35-4
MF:C12H18N6O4
MW:310.309121608734
CID:935251
PubChem ID:235485
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- NSC36901
- DTXSID90965679
- N~2~,N~2~-Dimethyl-9-pentofuranosyl-9H-purine-2,6-diamine
- 51385-35-4
- NSC-36901
-
-
- Inchi： 1S/C12H18N6O4/c1-17(2)12-15-9(13)6-10(16-12)18(4-14-6)11-8(21)7(20)5(3-19)22-11/h4-5,7-8,11,19-21H,3H2,1-2H3,(H2,13,15,16)
- InChI Key： VPEWRUVSAZUQQQ-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C=NC2C(N)=NC(N(C)C)=NC1=2)O)O
Computed Properties
- Exact Mass: 310.138953
- Monoisotopic Mass: 310.138953
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 402
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.6
- Topological Polar Surface Area: 143
Experimental Properties
- Density: 1.83
- Boiling Point: 688.6°C at 760 mmHg
- Flash Point: 370.3°C
- Refractive Index: 1.805
- PSA: 142.78000
- LogP: -1.33280
Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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