Hexethal Sodium
[CAS# 144-00-3]

Identification

• Name: Hexethal Sodium
• Synonyms: Sodium 5-Ethyl-5-Hexyl-4,6-Diketo-1H-Pyrimidin-2-Olate; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-Ethyl-5-Hexyl-, Monosodium Salt (9Ci); 5-Ethyl-5-Hexyl-2,4,6(1H,3H,5H)-Pyrimidinetrione Monosodium Salt
• Molecular Formula: C₁₂H₁₉N₂NaO₃
• Molecular Weight: 262.28
• CAS Registry Number: 144-00-3
• SMILES: [N-]1C(=O)C(C(=O)NC1=O)(CCCCCC)CC.[Na+]
• InChI: 1S/C12H20N2O3.Na/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1
• InChIKey: HXUAXLUDTCGASZ-UHFFFAOYSA-M