7059-39-4
DIMETHYL-DL-2,3-DISTEAROYL-OXYPROPYL-2'-HYDROXY-ETHYLAMMONIUM ACETATE
NameDIMETHYL-DL-2,3-DISTEAROYL-OXYPROPYL-2'-HYDROXY-ETHYLAMMONIUM ACETATE
FormulaC43 H86 N O5 . C2 H3 O2
1Identification
【Name】
DIMETHYL-DL-2,3-DISTEAROYL-OXYPROPYL-2'-HYDROXY-ETHYLAMMONIUM ACETATE
【CAS】
【MDL】
MFCD00036853
【English Synonyms】
【Formula】
C43 H86 N O5 . C2 H3 O2
【MolWeight】
756.198
【Inchi】
InChI=1S/C43H86NO5.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)48-40-41(39-44(3,4)37-38-45)49-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h41,45H,5-40H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
【InChIKey】
InChIKey=DRUSFJBLMPJNIZ-UHFFFAOYSA-M
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]
【MOL File】
DIMETHYL-DL-2,3-DIST….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
DIMETHYL-DL-2,3-DISTEAROYL-OXYPROPYL-2'-HYDROXY-ETHYLAMMONIUM ACETATE.cml