Bonain's Liquid
[CAS# 8053-92-7]

Identification

• Name: Bonain's Liquid
• Synonyms: (1S,2R,5S)-2-Isopropyl-5-Methyl-Cyclohexan-1-Ol; Methyl (1R)-3-Benzoyloxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate; Phenol; Hydrochloride; (1R)-3-Benzoyloxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; (1S,2R,5S)-2-Isopropyl-5-Methyl-1-Cyclohexanol
• Molecular Formula: C₃₃H₄₈ClNO₆
• Molecular Weight: 590.20
• CAS Registry Number: 8053-92-7
• SMILES: [C@@H]13N(C(CC1)CC(OC(=O)C2=CC=CC=C2)C3C(OC)=O)C.[C@H]4([C@@H](O)C[C@H](CC4)C)C(C)C.[H+].[Cl-].OC5=CC=CC=C5
• InChI: 1S/C17H21NO4.C10H20O.C6H6O.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;1-7(2)9-5-4-8(3)6-10(9)11;7-6-4-2-1-3-5-6;/h3-7,12-15H,8-10H2,1-2H3;7-11H,4-6H2,1-3H3;1-5,7H;1H/t12?,13-,14?,15?;8-,9+,10-;;/m10../s1
• InChIKey: BNZYOCHPQXYFEE-PKXMYSIYSA-N

Properties

• Boiling point: 395.2°C at 760 mmHg (Cal.)
• Flash point: 192.8°C (Cal.)