Sodium 1,4-cyclohexadien-1-yl{[(2E)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate
[CAS# 93939-80-1]

Identification

• Name: Sodium 1,4-cyclohexadien-1-yl{[(2E)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate
• Synonyms: (R)-(+)-Α-[(3-METHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO]-1,4-CYCLOHEXADIENE-1-ACETIC ACID SODIUM SALT; sodium (E)-α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate; Sodium α-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate
• Molecular Formula: C₁₃H₁₆NNaO₄
• Molecular Weight: 273.26
• CAS Registry Number: 93939-80-1
• EINECS: 300-370-6
• SMILES: [Na+].[O-]C(=O)C(N\C(=C\C(=O)OC)C)/C1=C/C\C=C/C1
• 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.)