Cas no 76-23-3 (2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)-)
76-23-3 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)-
CAS No:76-23-3
MF:C12H20N2O3
MW:240.298803329468
CID:564785
PubChem ID:101534
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)-
- 5-ethyl-5-hexan-3-yl-1,3-diazinane-2,4,6-trione
- 5-Aethyl-5-(1-aethyl-butyl)-barbitursaeure
- 5-Aethyl-5-< 1-aethyl-butyl> -barbitursaeure
- 5-ethyl-5-(1-ethyl-butyl)-barbituric acid
- 5-ethyl-5-(1-ethyl-butyl)-pyrimidine-2,4,6-trione
- AC1Q2UL0
- AC1Q6GBB
- butysal
- Butysedol
- SureCN1643533
- Tetrabarbital
- Tetrabarbitalum
- TETRAMAL
- TETRABARBITAL [MI]
- Tetrabarbitalum [INN-Latin]
- UNII-3K441526FO
- CHEMBL2107053
- NS00041050
- CHEBI:134977
- SCHEMBL1643533
- EINECS 200-946-6
- IL 991
- (R,S)-5-Ethyl-5-(1-ethylbutyl)barbitursaeure
- 3K441526FO
- TETRABARBITAL [INN]
- 5-Ethyl-5-(1-ethylbutyl)barbituric acid
- Q7706207
- Tetrabarbital [INN:DCF]
- 76-23-3
- DTXSID50861623
-
- Inchi： 1S/C12H20N2O3/c1-4-7-8(5-2)12(6-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
- InChI Key： ZLUNGGZJSQDFPH-UHFFFAOYSA-N
- SMILES： O=C1C(C(NC(N1)=O)=O)(CC)C(CC)CCC
Computed Properties
- Exact Mass: 240.1475
- Monoisotopic Mass: 240.14739250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 319
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- Melting Point: 122°
- PSA: 75.27
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
76-23-3 (2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)-) Related Products
- 57-44-3(Diethylmalonylurea)
- 1953-33-9(2,4,6(1H,3H,5H)-Pyrimidinetrione,5-butyl-)
- 57-43-2(amobarbital)
- 2518-72-1(5-ethyl-1,3-diazinane-2,4,6-trione)
- 7391-69-7(5-isopropylbarbituric acid)
- 125-40-6(2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-methylpropyl)-)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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