7-(2-Methyl-2-propanyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
[CAS# 77140-81-9]

Identification

• Name: 7-(2-Methyl-2-propanyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
• Synonyms: 3-Isoquinolinecarboxylic acid, 7-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-; 7-(2-Methyl-2-propanyl)-1,2,3,4-tetrahydro-3-isochinolincarbonsäure; 7-(2-Methyl-2-propanyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31
• CAS Registry Number: 77140-81-9
• SMILES: CC(C)(C)c1ccc2c(c1)CNC(C2)C(=O)O
• InChI: 1S/C14H19NO2/c1-14(2,3)11-5-4-9-7-12(13(16)17)15-8-10(9)6-11/h4-6,12,15H,7-8H2,1-3H3,(H,16,17)
• InChIKey: VDUSCACXLHOONG-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 382.9±42.0°C at 760 mmHg (Cal.)
• Flash point: 185.4±27.9°C (Cal.)