(2R)-1-(Tert-Butylamino)-3-(2-Cyclopentylphenoxy)Propan-2-Ol
[CAS# 38363-41-6]

Identification

• Name: (2R)-1-(Tert-Butylamino)-3-(2-Cyclopentylphenoxy)Propan-2-Ol
• Synonyms: (+)-Penbutolol; 2-Propanol, 1-(2-Cyclopentylphenoxy)-3-((1,1-Dimethylethyl)Amino)-, (R)-; C07416
• Molecular Formula: C₁₈H₂₉NO₂
• Molecular Weight: 291.43
• CAS Registry Number: 38363-41-6
• SMILES: [C@H](O)(COC2=C(C1CCCC1)C=CC=C2)CNC(C)(C)C
• InChI: 1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1
• InChIKey: KQXKVJAGOJTNJS-OAHLLOKOSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 438.237°C at 760 mmHg (Cal.)
• Flash point: 218.838°C (Cal.)