Divabuterol
[CAS# 54592-27-7]

Identification

• Name: Divabuterol
• Synonyms: [3-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-5-(2,2-Dimethylpropanoyloxy)Phenyl] 2,2-Dimethylpropanoate; 2,2-Dimethylpropanoic Acid [3-[2-(Tert-Butylamino)-1-Hydroxyethyl]-5-(2,2-Dimethyl-1-Oxopropoxy)Phenyl] Ester; 2,2-Dimethylpropionic Acid [3-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-5-Pivaloyloxy-Phenyl] Ester
• Molecular Formula: C₂₂H₃₅NO₅
• Molecular Weight: 393.52
• CAS Registry Number: 54592-27-7
• SMILES: C1=C(OC(C(C)(C)C)=O)C=C(OC(C(C)(C)C)=O)C=C1C(CNC(C)(C)C)O
• InChI: 1S/C22H35NO5/c1-20(2,3)18(25)27-15-10-14(17(24)13-23-22(7,8)9)11-16(12-15)28-19(26)21(4,5)6/h10-12,17,23-24H,13H2,1-9H3
• InChIKey: VJJOKWOJJZKXNV-UHFFFAOYSA-N

Properties

• Density: 1.064g/cm³ (Cal.)
• Boiling point: 494.028°C at 760 mmHg (Cal.)
• Flash point: 252.579°C (Cal.)