3-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]Propanoic Acid
[CAS# 187884-87-3]

Identification

• Name: 3-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]Propanoic Acid
• Synonyms: 3-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]Propionic Acid; Mls000713770; Smr000273251
• Molecular Formula: C₁₄H₁₈N₂O₂
• Molecular Weight: 246.31
• CAS Registry Number: 187884-87-3
• SMILES: C1=CC=CC2=C1C(=NC(C2)(C)C)NCCC(=O)O
• InChI: 1S/C14H18N2O2/c1-14(2)9-10-5-3-4-6-11(10)13(16-14)15-8-7-12(17)18/h3-6H,7-9H2,1-2H3,(H,15,16)(H,17,18)
• InChIKey: KHJUAUGETKHIEI-UHFFFAOYSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 461.43°C at 760 mmHg (Cal.)
• Flash point: 232.865°C (Cal.)