2-Benzoyl-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid
[CAS# 93316-40-6]

Identification

• Name: 2-Benzoyl-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid
• Synonyms: (3S)-2-(Oxo-Phenylmethyl)-3,4-Dihydro-1H-Isoquinoline-3-Carboxylate; (3S)-2-Phenylcarbonyl-3,4-Dihydro-1H-Isoquinoline-3-Carboxylate; Zinc00358650
• Molecular Formula: C₁₇H₁₄NO₃
• Molecular Weight: 280.30
• CAS Registry Number: 93316-40-6
• SMILES: [C@@H]2(N(C(=O)C1=CC=CC=C1)CC3=C(C2)C=CC=C3)C([O-])=O
• InChI: 1S/C17H15NO3/c19-16(12-6-2-1-3-7-12)18-11-14-9-5-4-8-13(14)10-15(18)17(20)21/h1-9,15H,10-11H2,(H,20,21)/p-1/t15-/m0/s1
• InChIKey: QBBPKILWLZTVIC-HNNXBMFYSA-M

Properties

• Boiling point: 520.049°C at 760 mmHg (Cal.)
• Flash point: 268.316°C (Cal.)