(2S,3S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]-3-Methylpentanoic Acid
[CAS# 187884-92-0]

Identification

• Name: (2S,3S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]-3-Methylpentanoic Acid
• Synonyms: (2S,3S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]-3-Methyl-Pentanoic Acid; (2S,3S)-2-[(3,3-Dimethyl-4H-Isoquinolin-1-Yl)Amino]-3-Methyl-Valeric Acid; L-Leucine, N-(3,4-Dihydro-3,3-Dimethyl-1-Isoquinolinyl)-
• Molecular Formula: C₁₇H₂₄N₂O₂
• Molecular Weight: 288.39
• CAS Registry Number: 187884-92-0
• SMILES: [C@H](C(=O)O)(NC1=NC(CC2=C1C=CC=C2)(C)C)[C@H](CC)C
• InChI: 1S/C17H24N2O2/c1-5-11(2)14(16(20)21)18-15-13-9-7-6-8-12(13)10-17(3,4)19-15/h6-9,11,14H,5,10H2,1-4H3,(H,18,19)(H,20,21)/t11-,14-/m0/s1
• InChIKey: HQLQNZBYCXGLRP-FZMZJTMJSA-N

Properties

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