3-Methyl-2-[(3,4,5-Trimethoxybenzoyl)Amino]Butanoic Acid
[CAS# 93709-68-3]

Identification

• Name: 3-Methyl-2-[(3,4,5-Trimethoxybenzoyl)Amino]Butanoic Acid
• Synonyms: (2S)-3-Methyl-2-[[Oxo-(3,4,5-Trimethoxyphenyl)Methyl]Amino]Butanoate; (2S)-3-Methyl-2-[(3,4,5-Trimethoxybenzoyl)Amino]Butyrate; (2S)-3-Methyl-2-[(3,4,5-Trimethoxyphenyl)Carbonylamino]Butanoate
• Molecular Formula: C₁₅H₂₀NO₆
• Molecular Weight: 310.33
• CAS Registry Number: 93709-68-3
• SMILES: [C@@H](NC(=O)C1=CC(=C(OC)C(=C1)OC)OC)(C([O-])=O)C(C)C
• InChI: 1S/C15H21NO6/c1-8(2)12(15(18)19)16-14(17)9-6-10(20-3)13(22-5)11(7-9)21-4/h6-8,12H,1-5H3,(H,16,17)(H,18,19)/p-1/t12-/m0/s1
• InChIKey: QTUHHHIOMGXNRY-LBPRGKRZSA-M

Properties

• Boiling point: 439.5°C at 760 mmHg (Cal.)
• Flash point: 219.602°C (Cal.)