N,N-Diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-Pentylamine citrate hemihydrate
[CAS# 74050-99-0]

Identification

• Name: N,N-Diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-Pentylamine citrate hemihydrate
• Synonyms: Citric Acid; N,N-Diethyl-4-[Phenyl-[3-(Trifluoromethyl)Phenyl]Methoxy]Pentan-1-Amine; N,N-Diethyl-4-[Phenyl-[3-(Trifluoromethyl)Phenyl]Methoxy]Pentan-1-Amine; Hydrate; Citric Acid; Diethyl-[4-[Phenyl-[3-(Trifluoromethyl)Phenyl]Methoxy]Pentyl]Amine
• Molecular Formula: C₅₈H₇₈F₆N₂O₁₇
• Molecular Weight: 1189.25
• CAS Registry Number: 74050-99-0
• SMILES: FC(C1=CC(=CC=C1)C(OC(CCCN(CC)CC)C)C2=CC=CC=C2)(F)F.C3=C(C=CC=C3C(OC(CCCN(CC)CC)C)C4=CC=CC=C4)C(F)(F)F.C(C(CC(=O)O)(C(=O)O)O)C(=O)O.C(C(CC(=O)O)(C(=O)O)O)C(=O)O.O
• InChI: 1S/2C23H30F3NO.2C6H8O7.H2O/c2*1-4-27(5-2)16-10-11-18(3)28-22(19-12-7-6-8-13-19)20-14-9-15-21(17-20)23(24,25)26;2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*6-9,12-15,17-18,22H,4-5,10-11,16H2,1-3H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
• InChIKey: MNYPDINJULTHSX-UHFFFAOYSA-N

Properties

• Boiling point: 416.1°C at 760 mmHg (Cal.)
• Flash point: 205.4°C (Cal.)