2-(Benzoylamino)-4-(Methylsulfonyl)Butanoic Acid
[CAS# 115527-63-4]

Identification

• Name: 2-(Benzoylamino)-4-(Methylsulfonyl)Butanoic Acid
• Synonyms: (2S)-2-(Benzoylamino)-4-Methylsulfonyl-Butanoate; (2S)-4-Methylsulfonyl-2-[(Oxo-Phenylmethyl)Amino]Butanoate; (2S)-2-(Benzoylamino)-4-Mesyl-Butyrate
• Molecular Formula: C₁₂H₁₄NO₅S
• Molecular Weight: 284.31
• CAS Registry Number: 115527-63-4
• SMILES: [C@H](NC(=O)C1=CC=CC=C1)(CC[S](=O)(=O)C)C([O-])=O
• InChI: 1S/C12H15NO5S/c1-19(17,18)8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1/t10-/m0/s1
• InChIKey: YVZWIGYDBXKHQF-JTQLQIEISA-M

Properties

• Boiling point: 652.138°C at 760 mmHg (Cal.)
• Flash point: 348.201°C (Cal.)