Cas no 51559-59-2 (6H-Purin-6-one,1-ethyl-1,9-dihydro-)
51559-59-2 structure
Product Name:6H-Purin-6-one,1-ethyl-1,9-dihydro-
CAS No:51559-59-2
MF:C7H8N4O
MW:164.164620399475
CID:380908
PubChem ID:241174
Update Time:2025-04-19
6H-Purin-6-one,1-ethyl-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,1-ethyl-1,9-dihydro-
- 1-ethyl-7H-purin-6-one
- 51559-59-2
- DTXSID40286942
- NSC-48393
- 1-Ethyl-1H-purin-6(9H)-one
- SCHEMBL1993927
- 1-ethyl-6,9-dihydro-1H-purin-6-one
- NSC48393
-
- Inchi: 1S/C7H8N4O/c1-2-11-4-10-6-5(7(11)12)8-3-9-6/h3-4H,2H2,1H3,(H,8,9)
- InChI Key: WGFUXYVCRPUUHZ-UHFFFAOYSA-N
- SMILES: O=C1C2=C(N=CN2)N=CN1CC
Computed Properties
- Exact Mass: 164.06994
- Monoisotopic Mass: 164.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 227
- 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: 0.1
- Topological Polar Surface Area: 61.4?2
Experimental Properties
- Density: 1.49
- Boiling Point: 455.3°Cat760mmHg
- Flash Point: 229.1°C
- Refractive Index: 1.725
- PSA: 61.35
6H-Purin-6-one,1-ethyl-1,9-dihydro- Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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3. 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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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