137522-85-1
((4,6-BIS(((2-METHOXYPHENYL)METHYLENE)HYDRAZINO)-1,3,5-TRIAZIN-2-YL)OXY)ACETONITRILE
Name((4,6-BIS(((2-METHOXYPHENYL)METHYLENE)HYDRAZINO)-1,3,5-TRIAZIN-2-YL)OXY)ACETONITRILE
1Identification
【Name】
((4,6-BIS(((2-METHOXYPHENYL)METHYLENE)HYDRAZINO)-1,3,5-TRIAZIN-2-YL)OXY)ACETONITRILE
【CAS】
【MDL】
MFCD00493965
【English Synonyms】
【Formula】
C21 H20 N8 O3
【MolWeight】
432.442
【Inchi】
InChI=1S/C21H20N8O3/c1-30-17-9-5-3-7-15(17)13-23-28-19-25-20(27-21(26-19)32-12-11-22)29-24-14-16-8-4-6-10-18(16)31-2/h3-10,13-14H,12H2,1-2H3,(H2,25,26,27,28,29)/b23-13+,24-14+
【InChIKey】
InChIKey=NIGWKPKEEYOXCX-RNIAWFEPSA-N
【SMILES】
COc1ccccc1/C=N/Nc2nc(nc(n2)OCC#N)N/N=C/c3ccccc3OC
【MOL File】
((4,6-BIS(((2-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:11
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((4,6-BIS(((2-METHOXYPHENYL)METHYLENE)HYDRAZINO)-1,3,5-TRIAZIN-2-YL)OXY)ACETONITRILE.cml