Rotoxamine
[CAS 5560-77-0]

Identification

• Name: Rotoxamine
• Synonyms: 2-[(S)-(4-Chlorophenyl)-(2-Pyridyl)Methoxy]-N,N-Dimethyl-Ethanamine; 2-[(S)-(4-Chlorophenyl)-(2-Pyridyl)Methoxy]-N,N-Dimethylethanamine; 2-[(S)-(4-Chlorophenyl)-(2-Pyridyl)Methoxy]Ethyl-Dimethyl-Amine
• Molecular Formula: C₁₆H₁₉ClN₂O
• Molecular Weight: 290.79
• CAS Registry Number: 5560-77-0
• SMILES: [C@H](OCCN(C)C)(C1=CC=C(Cl)C=C1)C2=CC=CC=N2
• InChI: 1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3/t16-/m0/s1
• InChIKey: OJFSXZCBGQGRNV-INIZCTEOSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 381.074°C at 760 mmHg (Cal.)
• Flash point: 184.267°C (Cal.)