[2-Oxo-3-(sulfanylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
[CAS# 89177-61-7]

Identification

• Name: [2-Oxo-3-(sulfanylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
• Synonyms: (3-Mercaptomethyl-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetic acid; 1-(Carboxymethyl)-3-(mercaptomethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one; 1-Cmtbao
• Molecular Formula: C₁₃H₁₅NO₃S
• Molecular Weight: 265.33
• CAS Registry Number: 89177-61-7
• SMILES: C1CC2=CC=CC=C2N(C(=O)C1CS)CC(=O)O
• InChI: 1S/C13H15NO3S/c15-12(16)7-14-11-4-2-1-3-9(11)5-6-10(8-18)13(14)17/h1-4,10,18H,5-8H2,(H,15,16)
• InChIKey: POKJPDPLOMMJRU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 564.2±35.0°C at 760 mmHg (Cal.)
• Flash point: 295.0±25.9°C (Cal.)