7-Isobutyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
[CAS# 77140-98-8]

Identification

• Name: 7-Isobutyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
• Synonyms: 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-(2-methylpropyl)-; 7-Isobutyl-1,2,3,4-tetrahydro-3-isochinolincarbonsäure
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31
• CAS Registry Number: 77140-98-8
• SMILES: CC(C)Cc1ccc2c(c1)CNC(C2)C(=O)O
• InChI: 1S/C14H19NO2/c1-9(2)5-10-3-4-11-7-13(14(16)17)15-8-12(11)6-10/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H,16,17)
• InChIKey: ZFMPCXNTEXPXDR-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 401.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 196.6±28.7°C (Cal.)