2,4,6(1H,3H,5H)-Pyrimidinetrione,1-ethyl- supplier

Name
1-ethyl-1,3-diazinane-2,4,6-trione
EINECS
CAS No. 50721-57-8
Article Data8
CAS DataBase
Density 1.294 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂O₃
Boiling Point
Molecular Weight 156.141
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Ethylbarbituricacid;NSC 85000;
PSA 66.48000
LogP -0.25850

2,4,6(1H,3H,5H)-Pyrimidinetrione,1-ethyl- Specification

The 2,4,6(1H,3H,5H)-Pyrimidinetrione,1-ethyl-, with the CAS registry number 50721-57-8, is also known as NSC85000. This chemical's molecular formula is C₆H₈N₂O₃ and molecular weight is 156.13932. Its IUPAC name is called 1-ethyl-1,3-diazinane-2,4,6-trione.

Physical properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione,1-ethyl-: (1)ACD/LogP: -0.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.46; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.493; (10)Molar Refractivity: 35.07 cm³; (11)Molar Volume: 120.6 cm³; (12)Surface Tension: 44 dyne/cm; (13)Density: 1.294 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1C(=O)CC(=O)NC1=O
(2)InChI: InChI=1S/C6H8N2O3/c1-2-8-5(10)3-4(9)7-6(8)11/h2-3H2,1H3,(H,7,9,11)
(3)InChIKey: SGKUPLCQYHQBTN-UHFFFAOYSA-N

Product Name

1-ethyl-1,3-diazinane-2,4,6-trione

2,4,6(1H,3H,5H)-Pyrimidinetrione,1-ethyl- Specification

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