5-[2-[(1,1-Dimethylethyl)Amino]-1-Hydroxyethyl]-1,3-Phenylene Bisisobutyrate Hydrobromide
[CAS# 52223-83-3]

Identification

• Name: 5-[2-[(1,1-Dimethylethyl)Amino]-1-Hydroxyethyl]-1,3-Phenylene Bisisobutyrate Hydrobromide
• Synonyms: [3-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-5-(2-Methylpropanoyloxy)Phenyl] 2-Methylpropanoate Hydrobromide; 2-Methylpropanoic Acid [3-[2-(Tert-Butylamino)-1-Hydroxyethyl]-5-(2-Methyl-1-Oxopropoxy)Phenyl] Ester Hydrobromide; 2-Methylpropionic Acid [3-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-5-Isobutyryloxy-Phenyl] Ester Hydrobromide
• Molecular Formula: C₂₀H₃₂BrNO₅
• Molecular Weight: 446.38
• CAS Registry Number: 52223-83-3
• EINECS: 257-756-1
• SMILES: [H+].C1=C(C(O)CNC(C)(C)C)C=C(OC(=O)C(C)C)C=C1OC(=O)C(C)C.[Br-]
• InChI: 1S/C20H31NO5.BrH/c1-12(2)18(23)25-15-8-14(17(22)11-21-20(5,6)7)9-16(10-15)26-19(24)13(3)4;/h8-10,12-13,17,21-22H,11H2,1-7H3;1H
• InChIKey: BWZYYMJUBTWGSP-UHFFFAOYSA-N

Properties

• Boiling point: 478.4°C at 760 mmHg (Cal.)
• Flash point: 243.2°C (Cal.)