N-(2,6-Dihydroxy-4-heptanyl)-1-octadecanaminium methyl sulfate
[CAS# 85712-01-2]

Identification

• Name: N-(2,6-Dihydroxy-4-heptanyl)-1-octadecanaminium methyl sulfate
• Synonyms: bis(2-hydroxypropyl)methyl(octadecyl)ammonium methyl sulphate
• Molecular Formula: C₂₆H₅₇NO₆S
• Molecular Weight: 511.80
• CAS Registry Number: 85712-01-2
• EINECS: 288-359-1
• SMILES: [O-]S(=O)(=O)OC.OC(CC([NH2+]CCCCCCCCCCCCCCCCCC)CC(O)C)C
• InChI: 1S/C25H53NO2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(21-23(2)27)22-24(3)28;1-5-6(2,3)4/h23-28H,4-22H2,1-3H3;1H3,(H,2,3,4)
• InChIKey: BGRQFYCZFVMCKU-UHFFFAOYSA-N

Properties

• Boiling point: 524.8°C at 760 mmHg (Cal.)
• Flash point: 13°C (Cal.)