2-Acetoxy-4-{[(2,2-Dimethylpropyl)Amino](Hydroxy)Methyl}Phenyl 4-Methoxybenzoate
[CAS# 60734-87-4]

Identification

• Name: 2-Acetoxy-4-{[(2,2-Dimethylpropyl)Amino](Hydroxy)Methyl}Phenyl 4-Methoxybenzoate
• Synonyms: 2-Acetoxy-4-{[(2,2-dimethylpropyl)amino](hydroxy)methyl}phenyl 4-methoxybenzoate; Nisbuterol
• Molecular Formula: C₂₂H₂₇NO₆
• Molecular Weight: 401.45
• CAS Registry Number: 60734-87-4
• SMILES: CC(=O)Oc1cc(ccc1OC(=O)c2ccc(cc2)OC)C(NCC(C)(C)C)O
• InChI: 1S/C22H27NO6/c1-14(24)28-19-12-16(20(25)23-13-22(2,3)4)8-11-18(19)29-21(26)15-6-9-17(27-5)10-7-15/h6-12,20,23,25H,13H2,1-5H3
• InChIKey: GHDLOPQVEPCSLW-UHFFFAOYSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 564.006°C at 760 mmHg (Cal.)
• Flash point: 294.9°C (Cal.)