2-Bromo-N-[4-[1-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]-1-Methylethyl]-1-Methylcyclohexyl]-Acetamide Hydrobromide (1:1)
[CAS# 99081-70-6]

Identification

• Name: 2-Bromo-N-[4-[1-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]-1-Methylethyl]-1-Methylcyclohexyl]-Acetamide Hydrobromide (1:1)
• Synonyms: 2-Bromo-N-[4-[1-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]-1-Methyl-Ethyl]-1-Methyl-Cyclohexyl]Acetamide Hydrobromide; 2-Bromo-N-[4-[1-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]-1-Methylethyl]-1-Methylcyclohexyl]Acetamide Hydrobromide; 2-Bromo-N-[4-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Propan-2-Yl]-1-Methyl-Cyclohexyl]Ethanamide Hydrobromide
• Molecular Formula: C₂₀H₃₂Br₂N₂O₄
• Molecular Weight: 524.29
• CAS Registry Number: 99081-70-6
• SMILES: [H+].C2=C(C(O)CNC(C1CCC(NC(=O)CBr)(CC1)C)(C)C)C=CC(=C2O)O.[Br-]
• InChI: 1S/C20H31BrN2O4.BrH/c1-19(2,14-6-8-20(3,9-7-14)23-18(27)11-21)22-12-17(26)13-4-5-15(24)16(25)10-13;/h4-5,10,14,17,22,24-26H,6-9,11-12H2,1-3H3,(H,23,27);1H
• InChIKey: PBMHJUMWUGLNQS-UHFFFAOYSA-N

Properties

• Boiling point: 653.1°C at 760 mmHg (Cal.)
• Flash point: 348.8°C (Cal.)