100916-78-7
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM BROMIDE ALPHA-CYCLOHEXYL-1-HYDRO XYCYCLOHEXANEACETATE
NameDIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM BROMIDE ALPHA-CYCLOHEXYL-1-HYDRO XYCYCLOHEXANEACETATE
1Identification
【Name】
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM BROMIDE ALPHA-CYCLOHEXYL-1-HYDRO XYCYCLOHEXANEACETATE
【CAS】
【MDL】
MFCD01668494
【English Synonyms】
【Formula】
C21 H40 N O3 . Br
【MolWeight】
434.455
【Inchi】
InChI=1S/C21H40NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)19(18-12-8-6-9-13-18)21(24)14-10-7-11-15-21;/h18-19,24H,4-17H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=WADCYOUWAGZWFX-UHFFFAOYSA-M
【SMILES】
CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCC2)O.[Br-]
【MOL File】
DIETHYL(2-HYDROXYETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM BROMIDE ALPHA-CYCLOHEXYL-1-HYDRO XYCYCLOHEXANEACETATE.cml