1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1H-indol-4-yl)-1-Propanone (E)-2-butenedioate (2:1) (salt)
[CAS# 109947-21-9]

Identification

• Name: 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1H-indol-4-yl)-1-Propanone (E)-2-butenedioate (2:1) (salt)
• Synonyms: But-2-Enedioic Acid; 1-[2-(2-Hydroxy-3-Propylamino-Propoxy)Phenyl]-3-(1H-Indol-4-Yl)Propan-1-One; 1-[2-(2-Hydroxy-3-Propylamino-Propoxy)Phenyl]-3-(1H-Indol-4-Yl)Propan-1-One; 1-Propanone, 1-(2-(2-Hydroxy-3-(Propylamino)Propoxy)Phenyl)-3-(1H-Indol-4-Yl)-, (E)-2-Butenedioate (2:1) (Salt)
• Molecular Formula: C₅₀H₆₀N₄O₁₀
• Molecular Weight: 877.04
• CAS Registry Number: 109947-21-9
• SMILES: C1=C[NH]C2=C1C(=CC=C2)CCC(=O)C3=CC=CC=C3OCC(O)CNCCC.C4=C[NH]C5=C4C(=CC=C5)CCC(=O)C6=CC=CC=C6OCC(O)CNCCC.O=C(O)\C=C\C(=O)O
• InChI: 1S/2C23H28N2O3.C4H4O4/c2*1-2-13-24-15-18(26)16-28-23-9-4-3-7-20(23)22(27)11-10-17-6-5-8-21-19(17)12-14-25-21;5-3(6)1-2-4(7)8/h2*3-9,12,14,18,24-26H,2,10-11,13,15-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
• InChIKey: LEHREMZJOFLRFF-WXXKFALUSA-N

Properties

• Boiling point: 611.7°C at 760 mmHg (Cal.)
• Flash point: 323.8°C (Cal.)