(2-Hydroxyethyl)Methylbis[2-[(1-Oxooctadec-9-Enyl)Amino]Ethyl]Ammonium Methyl Sulphate
[CAS# 92888-37-4]

Identification

• Name: (2-Hydroxyethyl)Methylbis[2-[(1-Oxooctadec-9-Enyl)Amino]Ethyl]Ammonium Methyl Sulphate
• Synonyms: 3-Hydroxypropyl-Bis[2-[[(E)-Octadec-9-Enoyl]Amino]Ethyl]Ammonium; Methyl Sulfate; 3-Hydroxypropyl-Bis[2-[[(E)-1-Oxooctadec-9-Enyl]Amino]Ethyl]Ammonium; Methyl Sulfate; (2-Hydroxyethyl)Methylbis(2-((1-Oxooctadec-9-Enyl)Amino)Ethyl)Ammonium Methyl Sulphate
• Molecular Formula: C₄₄H₈₇N₃O₇S
• Molecular Weight: 802.25
• CAS Registry Number: 92888-37-4
• EINECS: 296-636-3
• SMILES: CO[S]([O-])(=O)=O.C([NH+](CCNC(=O)CCCCCCC\C=C\CCCCCCCC)CCCO)CNC(=O)CCCCCCC\C=C\CCCCCCCC
• InChI: 1S/C43H83N3O3.CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)44-36-39-46(38-33-41-47)40-37-45-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6(2,3)4/h17-20,47H,3-16,21-41H2,1-2H3,(H,44,48)(H,45,49);1H3,(H,2,3,4)/b19-17+,20-18+
• InChIKey: NZNZXWLPLYXNCB-ZGWGUCJNSA-N

Properties

• Boiling point: 806.9°C at 760 mmHg (Cal.)
• Flash point: 441.8°C (Cal.)