Bupranolol
[CAS# 14556-46-8]

Identification

• Name: Bupranolol
• Synonyms: 1-(Tert-Butylamino)-3-(2-Chloro-5-Methyl-Phenoxy)Propan-2-Ol; Bupranolol; 1-(Tert-Butylamino)-3-((6-Chloro-M-Tolyl)-Oxy)-2-Propanol
• Molecular Formula: C₁₄H₂₂ClNO₂
• Molecular Weight: 271.79
• CAS Registry Number: 14556-46-8
• SMILES: C1=C(OCC(O)CNC(C)(C)C)C(=CC=C1C)Cl
• InChI: 1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
• InChIKey: HQIRNZOQPUAHHV-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 396.3±42.0°C at 760 mmHg (Cal.)
• Flash point: 193.5±27.9°C (Cal.)

References

• (1): Giuseppe D. Ruggiero and Ian H. Williams. Kinetic isotope effects for gas phase S2 methyl transfer: a computational study of anionic and cationic identity reactions, J. Chem. Soc., Perkin Trans. 2, 2002, 0, 591.