N,N-Diethyl-2-{[3-(4-methoxyphenyl)-2-phenylpropanoyl]oxy}ethanaminium (9Z)-9-octadecenoate
[CAS# 93856-89-4]

Identification

• Name: N,N-Diethyl-2-{[3-(4-methoxyphenyl)-2-phenylpropanoyl]oxy}ethanaminium (9Z)-9-octadecenoate
• Synonyms: diethyl[2-[3-(p-methoxyphenyl)-2-phenylpropionyloxy]ethyl]ammonium oleate
• Molecular Formula: C₄₀H₆₃NO₅
• Molecular Weight: 637.93
• CAS Registry Number: 93856-89-4
• EINECS: 299-123-2
• SMILES: COc2ccc(CC(c1ccccc1)C(=O)OCC[NH+](CC)CC)cc2.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC
• InChI: 1S/C22H29NO3.C18H34O2/c1-4-23(5-2)15-16-26-22(24)21(19-9-7-6-8-10-19)17-18-11-13-20(25-3)14-12-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-14,21H,4-5,15-17H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9-
• InChIKey: LHFUHUWGYXOKFS-SVMKZPJVSA-N

Properties

• Boiling point: 693.4°C at 760 mmHg (Cal.)
• Flash point: 373.1°C (Cal.)