Cas no 20419-69-6 (9H-Purine,2,6-diethoxy-)
9H-Purine,2,6-diethoxy- structure
Product Name:9H-Purine,2,6-diethoxy-
CAS No:20419-69-6
MF:C9H12N4O2
MW:208.21718120575
CID:288006
PubChem ID:4401570
Update Time:2025-04-19
9H-Purine,2,6-diethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,2,6-diethoxy-
- 2,6-diethoxy-7H-purine
- NSC-112523
- 20419-69-6
- NSC112523
- NSC 112523
- DTXSID60402869
-
- Inchi: 1S/C9H12N4O2/c1-3-14-8-6-7(11-5-10-6)12-9(13-8)15-4-2/h5H,3-4H2,1-2H3,(H,10,11,12,13)
- InChI Key: ULKSPUWPWKASIW-UHFFFAOYSA-N
- SMILES: O(CC)C1=C2C(N=CN2)=NC(=N1)OCC
Computed Properties
- Exact Mass: 208.09616
- Monoisotopic Mass: 208.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 205
- 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: 1.1
- Topological Polar Surface Area: 72.9A^2
Experimental Properties
- Density: 1.38
- Boiling Point: 278.3°Cat760mmHg
- Flash Point: 101.1°C
- Refractive Index: 1.629
- PSA: 67.9
9H-Purine,2,6-diethoxy- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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