Cas no 146237-62-9 (5-Pyrimidinol,2-(1,1-dimethylethyl)-, sodium salt (1:1))
146237-62-9 structure
Product Name:5-Pyrimidinol,2-(1,1-dimethylethyl)-, sodium salt (1:1)
CAS No:146237-62-9
MF:C8H11N2NaO
MW:174.175512552261
CID:174371
PubChem ID:44152889
Update Time:2025-04-19
5-Pyrimidinol,2-(1,1-dimethylethyl)-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinol,2-(1,1-dimethylethyl)-, sodium salt (1:1)
- sodium,2-tert-butylpyrimidin-5-olate
- LogP
- 5-Pyrimidinol, 2-(1,1-dimethylethyl)-, sodium salt (1:1)
- DTXSID40891116
- sodium;2-tert-butylpyrimidin-5-olate
- 146237-62-9
- Sodium 2-(tert-butyl)pyrimidin-5-olate
- 5-Pyrimidinol, 2-(1,1-dimethylethyl)-, sodium salt
- SODIUM 2-TERT-BUTYLPYRIMIDIN-5-OLATE
-
- Inchi： 1S/C8H12N2O.Na/c1-8(2,3)7-9-4-6(11)5-10-7;/h4-5,11H,1-3H3;/q;+1/p-1
- InChI Key： ZAJDAKBNOCHRQW-UHFFFAOYSA-M
- SMILES： [Na+].[O-]C1C=NC(C(C)(C)C)=NC=1
Computed Properties
- Exact Mass: 175.08486
- Monoisotopic Mass: 174.077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 128
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 48.8A^2
Experimental Properties
- PSA: 46.01
5-Pyrimidinol,2-(1,1-dimethylethyl)-, sodium salt (1:1) Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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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
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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