2990-37-6
(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)DIETHYLMETHYLAMMONIUM IODIDE
Name(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)DIETHYLMETHYLAMMONIUM IODIDE
1Identification
【Name】
(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)DIETHYLMETHYLAMMONIUM IODIDE
【CAS】
【MDL】
MFCD01674608
【English Synonyms】
【Formula】
C15 H24 N O3 . I
【MolWeight】
393.259
【Inchi】
InChI=1S/C15H24NO3.HI/c1-4-16(3,5-2)9-10-17-13-7-6-8-14-15(13)19-12-11-18-14;/h6-8H,4-5,9-12H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=DRTVIHPHYHVTNC-UHFFFAOYSA-M
【SMILES】
CC[N+](C)(CC)CCOc1cccc2c1OCCO2.[I-]
【MOL File】
(2-(1,4-BENZODIOXAN-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)DIETHYLMETHYLAMMONIUM IODIDE.cml