(±)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-Trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide
[CAS# 2797-68-4]

Identification

• Name: (±)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-Trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide
• Synonyms: [1-(Hexadecanoyloxymethyl)-2-Hydroxy-Ethyl] Hexadecanoate; Trimethyl-(2-Phosphonooxyethyl)Ammonium; Hydroxide; Hexadecanoic Acid [1-(Hydroxymethyl)-2-(1-Oxohexadecoxy)Ethyl] Ester; Trimethyl-(2-Phosphonooxyethyl)Ammonium; Hydroxide
• Molecular Formula: C₄₀H₈₄NO₁₀P
• Molecular Weight: 770.08
• CAS Registry Number: 2797-68-4
• EINECS: 220-530-8
• SMILES: C([N+](C)(C)C)CO[P](O)(O)=O.C(CCCCCCCC)CCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)CO)=O.[OH-]
• InChI: 1S/C35H68O5.C5H14NO4P.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-6(2,3)4-5-10-11(7,8)9;/h33,36H,3-32H2,1-2H3;4-5H2,1-3H3,(H-,7,8,9);1H2
• InChIKey: KJJSOVPZEDJQKE-UHFFFAOYSA-N

Properties

• Boiling point: 620.8°C at 760 mmHg (Cal.)
• Flash point: 174.7°C (Cal.)