1,2,3,4-Tetrahydro-4,6-Dihydroxy-1-Isoquinolinecarboxylic Acid Isobutyl Ester
[CAS# 23824-33-1]

Identification

• Name: 1,2,3,4-Tetrahydro-4,6-Dihydroxy-1-Isoquinolinecarboxylic Acid Isobutyl Ester
• Synonyms: Isobutyl 4,6-Dihydroxy-1,2,3,4-Tetrahydroisoquinoline-1-Carboxylate; 4,6-Dihydroxy-1,2,3,4-Tetrahydroisoquinoline-1-Carboxylic Acid Isobutyl Ester; 4,6-Dihydroxy-1,2,3,4-Tetrahydro-1-Isoquinolinecarboxylic Acid Isobutyl Ester
• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.31
• CAS Registry Number: 23824-33-1
• SMILES: C1=CC(=CC2=C1C(NCC2O)C(OCC(C)C)=O)O
• InChI: 1S/C14H19NO4/c1-8(2)7-19-14(18)13-10-4-3-9(16)5-11(10)12(17)6-15-13/h3-5,8,12-13,15-17H,6-7H2,1-2H3
• InChIKey: CFWZZSMSRRLHCB-UHFFFAOYSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 453.074°C at 760 mmHg (Cal.)
• Flash point: 227.811°C (Cal.)