(Z)-2-Hydroxypropyl(2-Hydroxyethyl)Methyl[2-[(1-Oxo-9-Octadecenyl)Amino]Ethyl]Ammonium Methyl Sulphate
[CAS# 93982-91-3]

Identification

• Name: (Z)-2-Hydroxypropyl(2-Hydroxyethyl)Methyl[2-[(1-Oxo-9-Octadecenyl)Amino]Ethyl]Ammonium Methyl Sulphate
• Synonyms: (Z)-2-Hydroxypropyl(2-Hydroxyethyl)Methyl(2-((1-Oxo-9-O; [3-Hydroxy-1-(2-Hydroxyethyl)Butyl]-[2-[[(E)-Octadec-9-Enoyl]Amino]Ethyl]Ammonium; Methyl Sulfate; [3-Hydroxy-1-(2-Hydroxyethyl)Butyl]-[2-[[(E)-1-Oxooctadec-9-Enyl]Amino]Ethyl]Ammonium; Methyl Sulfate
• Molecular Formula: C₂₇H₅₆N₂O₇S
• Molecular Weight: 552.81
• CAS Registry Number: 93982-91-3
• EINECS: 301-277-3
• SMILES: CO[S]([O-])(=O)=O.C(C([NH2+]CCNC(=O)CCCCCCC\C=C\CCCCCCCC)CCO)C(O)C
• InChI: 1S/C26H52N2O3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(31)28-21-20-27-25(19-22-29)23-24(2)30;1-5-6(2,3)4/h10-11,24-25,27,29-30H,3-9,12-23H2,1-2H3,(H,28,31);1H3,(H,2,3,4)/b11-10+
• InChIKey: LSKWOJBALDUBON-ASTDGNLGSA-N

Properties

• Boiling point: 732.9°C at 760 mmHg (Cal.)
• Flash point: 397°C (Cal.)