4-[3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-1H-Indole-2-Carboxylic Acid, 1-Methylethyl Ester
[CAS# 39731-05-0]

Identification

• Name: 4-[3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-1H-Indole-2-Carboxylic Acid, 1-Methylethyl Ester
• Synonyms: Isopropyl 4-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-1H-Indole-2-Carboxylate; 4-[3-(Tert-Butylamino)-2-Hydroxypropoxy]-1H-Indole-2-Carboxylic Acid Isopropyl Ester; 4-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-1H-Indole-2-Carboxylic Acid Isopropyl Ester
• Molecular Formula: C₁₉H₂₈N₂O₄
• Molecular Weight: 348.44
• CAS Registry Number: 39731-05-0
• SMILES: C1=C(C(OC(C)C)=O)[NH]C2=C1C(=CC=C2)OCC(CNC(C)(C)C)O
• InChI: 1S/C19H28N2O4/c1-12(2)25-18(23)16-9-14-15(21-16)7-6-8-17(14)24-11-13(22)10-20-19(3,4)5/h6-9,12-13,20-22H,10-11H2,1-5H3
• InChIKey: SJYFDORQYYEJLB-UHFFFAOYSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 529.795°C at 760 mmHg (Cal.)
• Flash point: 274.21°C (Cal.)
• solubility: Soluble to 100 mM in ethanol and to 100 mM in DMSO