(2S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]Propanoic Acid
[CAS# 187884-90-8]

Identification

• Name: (2S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]Propanoic Acid
• Synonyms: (2S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]Propionic Acid; L-Alanine, N-(3,4-Dihydro-3,3-Dimethyl-1-Isoquinolinyl)-; N-(3,4-Dihydro-3,3-Dimethyl-1-Isoquinolinyl)-L-Alanine
• Molecular Formula: C₁₄H₁₈N₂O₂
• Molecular Weight: 246.31
• CAS Registry Number: 187884-90-8
• SMILES: [C@@H](NC1=NC(CC2=C1C=CC=C2)(C)C)(C(=O)O)C
• InChI: 1S/C14H18N2O2/c1-9(13(17)18)15-12-11-7-5-4-6-10(11)8-14(2,3)16-12/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,18)/t9-/m0/s1
• InChIKey: ZVYICXMIPNSFIA-VIFPVBQESA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 449.001°C at 760 mmHg (Cal.)
• Flash point: 225.348°C (Cal.)