(2S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]-4-Methylpentanoic Acid
[CAS# 187884-89-5]

Identification

• Name: (2S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]-4-Methyl-Valeric Acid; Stock1n-17413
• Molecular Formula: C₁₇H₂₄N₂O₂
• Molecular Weight: 288.39
• CAS Registry Number: 187884-89-5
• SMILES: [C@@H](NC1=NC(CC2=C1C=CC=C2)(C)C)(C(=O)O)CC(C)C
• InChI: 1S/C17H24N2O2/c1-11(2)9-14(16(20)21)18-15-13-8-6-5-7-12(13)10-17(3,4)19-15/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)(H,20,21)/t14-/m0/s1
• InChIKey: CFSVWPQERLQYDF-AWEZNQCLSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 472.385°C at 760 mmHg (Cal.)
• Flash point: 239.49°C (Cal.)