1,3-Dichloro-6-Trifluoromethyl-9-Phenanthryl-3-(N-Butyl)Aminopropanol
[CAS# 69756-48-5]

Identification

• Name: 1,3-Dichloro-6-Trifluoromethyl-9-Phenanthryl-3-(N-Butyl)Aminopropanol
• Synonyms: 3-Butylamino-1-[1,3-Dichloro-6-(Trifluoromethyl)-9-Phenanthryl]Propan-1-Ol; 1,3-Dichloro-6-Trifluoromethyl-9-[1-Hydroxy-3-(N-N-Butylamino)Propyl]Phenanthrene; 1,3-Dichloro-6-Trifluoromethyl-9-Phenanthryl-3-(N-Butyl)Aminopropanol
• Molecular Formula: C₂₂H₂₂Cl₂F₃NO
• Molecular Weight: 444.32
• CAS Registry Number: 69756-48-5
• SMILES: C2=C(C1=CC=C(C=C1C3=CC(=CC(=C23)Cl)Cl)C(F)(F)F)C(O)CCNCCCC
• InChI: 1S/C22H22Cl2F3NO/c1-2-3-7-28-8-6-21(29)19-12-18-17(10-14(23)11-20(18)24)16-9-13(22(25,26)27)4-5-15(16)19/h4-5,9-12,21,28-29H,2-3,6-8H2,1H3
• InChIKey: FYHCHSNOXWVJJT-UHFFFAOYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 569.345°C at 760 mmHg (Cal.)
• Flash point: 298.129°C (Cal.)

References

• (1): Sean Ekins, Konstantin V. Balakin, Nikolay Savchuk, and Yan Ivanenkov. Insights for Human Ether-a-Go-Go-Related Gene Potassium Channel Inhibition Using Recursive Partitioning and Kohonen and Sammon Mapping Techniques, J. Med. Chem. 2006, 49(17), 5059-5071.