2906-82-3
(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)TRIMETHYLAMMONIUM IODIDE
Name(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)TRIMETHYLAMMONIUM IODIDE
1Identification
【Name】
(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)TRIMETHYLAMMONIUM IODIDE
【CAS】
【MDL】
MFCD01674609
【English Synonyms】
【Formula】
C13 H20 N O3 . I
【MolWeight】
365.205
【Inchi】
InChI=1S/C13H20NO3.HI/c1-14(2,3)7-8-15-11-5-4-6-12-13(11)17-10-9-16-12;/h4-6H,7-10H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=XQFWDVPAERWMBA-UHFFFAOYSA-M
【SMILES】
C[N+](C)(C)CCOc1cccc2c1OCCO2.[I-]
【MOL File】
(2-(1,4-BENZODIOXAN-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)TRIMETHYLAMMONIUM IODIDE.cml