2-(2-Oxo-2,3,4,5-Tetrahydro-1H-1-Benzazepin-1-Yl)Propanoic Acid
[CAS 115706-39-3]

Identification

• Name: 2-(2-Oxo-2,3,4,5-Tetrahydro-1H-1-Benzazepin-1-Yl)Propanoic Acid
• Synonyms: 1H-1-benzazepine-1-acetic acid, 2,3,4,5-tetrahydro-α-methyl-2-oxo-; 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)propanoic acid; 2-(2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)propanoic acid
• Molecular Formula: C₁₃H₁₅NO₃
• Molecular Weight: 233.26
• CAS Registry Number: 115706-39-3
• SMILES: CC(C(=O)O)N1C(=O)CCCC2=CC=CC=C21
• InChI: 1S/C13H15NO3/c1-9(13(16)17)14-11-7-3-2-5-10(11)6-4-8-12(14)15/h2-3,5,7,9H,4,6,8H2,1H3,(H,16,17)
• InChIKey: NXTIVKFWBOWRDP-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 500.7±43.0°C at 760 mmHg (Cal.)
• Flash point: 256.6±28.2°C (Cal.)
• Refractive index: 1.574 (Cal.)

Safety Data

• Safety Description: IRRITANT