(2-Acetyl-1,2,3,4-Tetrahydroisoquinolin-1-Yl)Acetic Acid
[CAS# 53921-74-7]

Identification

• Name: (2-Acetyl-1,2,3,4-Tetrahydroisoquinolin-1-Yl)Acetic Acid
• Synonyms: 2-[(1R)-2-Ethanoyl-3,4-Dihydro-1H-Isoquinolin-1-Yl]Ethanoate; Zinc00064904
• Molecular Formula: C₁₃H₁₄NO₃
• Molecular Weight: 232.26
• CAS Registry Number: 53921-74-7
• SMILES: [C@@H]1(N(CCC2=C1C=CC=C2)C(=O)C)CC([O-])=O
• InChI: 1S/C13H15NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-5,12H,6-8H2,1H3,(H,16,17)/p-1/t12-/m1/s1
• InChIKey: QZBDYCNMWXWQNV-GFCCVEGCSA-M

Properties

• Boiling point: 476.539°C at 760 mmHg (Cal.)
• Flash point: 242.003°C (Cal.)