52078-66-7
5,6-DIMETHYL-2-(3-(5,6-DIMETHYL-3-ETHYL-2-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-ETHYL BENZOXAZOLIUM IODIDE
Name5,6-DIMETHYL-2-(3-(5,6-DIMETHYL-3-ETHYL-2-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-ETHYL BENZOXAZOLIUM IODIDE
1Identification
【Name】
5,6-DIMETHYL-2-(3-(5,6-DIMETHYL-3-ETHYL-2-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-ETHYL BENZOXAZOLIUM IODIDE
【CAS】
【MDL】
MFCD00143412
【English Synonyms】
【Formula】
C25 H29 N2 O2 . I
【MolWeight】
516.416
【Inchi】
InChI=1S/C25H29N2O2.HI/c1-7-26-20-12-16(3)18(5)14-22(20)28-24(26)10-9-11-25-27(8-2)21-13-17(4)19(6)15-23(21)29-25;/h9-15H,7-8H2,1-6H3;1H/q+1;/p-1
【InChIKey】
InChIKey=XFGPBUWHEYUAMX-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2cc(c(cc2oc1/C=C/C=C/3\N(c4cc(c(cc4O3)C)C)CC)C)C.[I-]
【MOL File】
5,6-DIMETHYL-2-(3-(5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,6-DIMETHYL-2-(3-(5,6-DIMETHYL-3-ETHYL-2-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-ETHYL BENZOXAZOLIUM IODIDE.cml