Sodium alpha-[(3-Methoxy-1-Methyl-3-Oxo-1-Propenyl)Amino]Cyclohexa-1,4-Diene-1-Acetate
[CAS# 50316-92-2]

Identification

• Name: Sodium alpha-[(3-Methoxy-1-Methyl-3-Oxo-1-Propenyl)Amino]Cyclohexa-1,4-Diene-1-Acetate
• Synonyms: Sodium 2-(1-Cyclohexa-1,4-Dienyl)-2-[(4-Methoxy-4-Oxobut-2-En-2-Yl)Amino]Acetate; Sodium 2-(1-Cyclohexa-1,4-Dienyl)-2-[(3-Methoxy-1-Methyl-3-Oxo-Prop-1-Enyl)Amino]Acetate; Sodium 2-(1-Cyclohexa-1,4-Dienyl)-2-[[(E)-3-Methoxy-1-Methyl-3-Oxo-Prop-1-Enyl]Amino]Acetate
• Molecular Formula: C₁₃H₁₆NNaO₄
• Molecular Weight: 273.26
• CAS Registry Number: 50316-92-2
• EINECS: 256-537-8
• SMILES: C\C(NC(C1=CCC=CC1)C(=O)[O-])=C/C(OC)=O.[Na+]
• InChI: 1S/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8+
• InChIKey: XWVDGMIXJIIFTO-HRNDJLQDSA-M

Properties

• Boiling point: 410.7°C at 760 mmHg (Cal.)
• Flash point: 202.2°C (Cal.)