753440-91-4
1-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-3-(PYRAZIN-2-YLMETHYL)-4,9-DIHYDRO-1H-NAPHTHO[2,3-D]IMIDAZOLIUM
Name1-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-3-(PYRAZIN-2-YLMETHYL)-4,9-DIHYDRO-1H-NAPHTHO[2,3-D]IMIDAZOLIUM
1Identification
【Name】
1-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-3-(PYRAZIN-2-YLMETHYL)-4,9-DIHYDRO-1H-NAPHTHO[2,3-D]IMIDAZOLIUM
【CAS】
【MDL】
MFCD17215546
【English Synonyms】
【Formula】
C20 H19 N4 O3
【MolWeight】
363.395
【Inchi】
InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1
【InChIKey】
InChIKey=OTSOOHRUMBRSHZ-UHFFFAOYSA-N
【SMILES】
Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC
【MOL File】
1-(2-METHOXYETHYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-METHOXYETHYL)-2-METHYL-4,9-DIOXO-3-(PYRAZIN-2-YLMETHYL)-4,9-DIHYDRO-1H-NAPHTHO[2,3-D]IMIDAZOLIUM.cml