Ibuterol
[CAS# 53034-85-8]

Identification

• Name: Ibuterol
• Synonyms: [3-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-5-(2-Methylpropanoyloxy)Phenyl] 2-Methylpropanoate; 2-Methylpropanoic Acid [3-[2-(Tert-Butylamino)-1-Hydroxyethyl]-5-(2-Methyl-1-Oxopropoxy)Phenyl] Ester; 2-Methylpropionic Acid [3-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-5-Isobutyryloxy-Phenyl] Ester
• Molecular Formula: C₂₀H₃₁NO₅
• Molecular Weight: 365.47
• CAS Registry Number: 53034-85-8
• EINECS: 258-311-4
• SMILES: C1=C(C(CNC(C)(C)C)O)C=C(OC(C(C)C)=O)C=C1OC(C(C)C)=O
• InChI: 1S/C20H31NO5/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
• InChIKey: WKHOPHIMYDJVSA-UHFFFAOYSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 478.445°C at 760 mmHg (Cal.)
• Flash point: 243.155°C (Cal.)