(2S)-3-Methyl-2-[[2-(Phenoxy)Acetyl]Amino]Butanoate
[CAS# 39864-48-7]

Identification

• Name: (2S)-3-Methyl-2-[[2-(Phenoxy)Acetyl]Amino]Butanoate
• Synonyms: (2S)-3-Methyl-2-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]Butanoate; (2S)-3-Methyl-2-[[2-(Phenoxy)Acetyl]Amino]Butyrate; (2S)-3-Methyl-2-[2-(Phenoxy)Ethanoylamino]Butanoate
• Molecular Formula: C₁₃H₁₆NO₄
• Molecular Weight: 250.27
• CAS Registry Number: 39864-48-7
• SMILES: [C@@H](NC(=O)COC1=CC=CC=C1)(C([O-])=O)C(C)C
• InChI: 1S/C13H17NO4/c1-9(2)12(13(16)17)14-11(15)8-18-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t12-/m0/s1
• InChIKey: CLSLDFKGBNDDJJ-LBPRGKRZSA-M

Properties

• Boiling point: 490.019°C at 760 mmHg (Cal.)
• Flash point: 250.155°C (Cal.)