2-(4-Methyl-Benzoyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid
[CAS# 436811-20-0]

Identification

• Name: 2-(4-Methyl-Benzoyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid
• Synonyms: (3S)-2-[(4-Methylphenyl)-Oxomethyl]-3,4-Dihydro-1H-Isoquinoline-3-Carboxylate; (3S)-2-(4-Methylphenyl)Carbonyl-3,4-Dihydro-1H-Isoquinoline-3-Carboxylate; Zinc00090584
• Molecular Formula: C₁₈H₁₆NO₃
• Molecular Weight: 294.33
• CAS Registry Number: 436811-20-0
• SMILES: [C@@H]2(N(C(=O)C1=CC=C(C=C1)C)CC3=C(C2)C=CC=C3)C([O-])=O
• InChI: 1S/C18H17NO3/c1-12-6-8-13(9-7-12)17(20)19-11-15-5-3-2-4-14(15)10-16(19)18(21)22/h2-9,16H,10-11H2,1H3,(H,21,22)/p-1/t16-/m0/s1
• InChIKey: KCVCTQYFLDSAOL-INIZCTEOSA-M

Properties

• Boiling point: 540.207°C at 760 mmHg (Cal.)
• Flash point: 280.507°C (Cal.)