4-[2-Hydroxy-3-[(1-Methylethyl) Amino]Propoxy]-Benzeneacetic Acid, 2-Tricyclo[3.3.1.1(3,7)]Dec-1-Ylethyl Ester, (2Z)-2-Butenedioate (1:1) (Salt)
[CAS# 121009-31-2]

Identification

• Name: 4-[2-Hydroxy-3-[(1-Methylethyl) Amino]Propoxy]-Benzeneacetic Acid, 2-Tricyclo[3.3.1.1(3,7)]Dec-1-Ylethyl Ester, (2Z)-2-Butenedioate (1:1) (Salt)
• Synonyms: 2-(1-Adamantyl)Ethyl 2-[4-[2-Hydroxy-3-(Isopropylamino)Propoxy]Phenyl]Acetate; But-2-Enedioic Acid; But-2-Enedioic Acid; 2-[4-[2-Hydroxy-3-(Isopropylamino)Propoxy]Phenyl]Acetic Acid 2-(1-Adamantyl)Ethyl Ester; 2-(1-Adamantyl)Ethyl 2-[4-[2-Hydroxy-3-(Propan-2-Ylamino)Propoxy]Phenyl]Ethanoate; But-2-Enedioic Acid
• Molecular Formula: C₃₀H₄₃NO₈
• Molecular Weight: 545.67
• CAS Registry Number: 121009-31-2
• SMILES: C4=C(CC(OCCC12CC3CC(C1)CC(C2)C3)=O)C=CC(=C4)OCC(O)CNC(C)C.O=C(O)\C=C/C(=O)O
• InChI: 1S/C26H39NO4.C4H4O4/c1-18(2)27-16-23(28)17-31-24-5-3-19(4-6-24)12-25(29)30-8-7-26-13-20-9-21(14-26)11-22(10-20)15-26;5-3(6)1-2-4(7)8/h3-6,18,20-23,27-28H,7-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChIKey: WEBILLRFBZTUIX-BTJKTKAUSA-N

Properties

• Boiling point: 561.6°C at 760 mmHg (Cal.)
• Flash point: 293.5°C (Cal.)