522629-42-1
2-(2-(2,3-DIMETHYLANILINO)-2-OXOETHYL)PHTHALAZIN-2-IUM IODIDE
Name2-(2-(2,3-DIMETHYLANILINO)-2-OXOETHYL)PHTHALAZIN-2-IUM IODIDE
1Identification
【Name】
2-(2-(2,3-DIMETHYLANILINO)-2-OXOETHYL)PHTHALAZIN-2-IUM IODIDE
【CAS】
【MDL】
MFCD03932096
【English Synonyms】
【Formula】
C18 H18 N3 O . I
【MolWeight】
419.26
【Inchi】
InChI=1S/C18H17N3O.HI/c1-13-6-5-9-17(14(13)2)20-18(22)12-21-11-16-8-4-3-7-15(16)10-19-21;/h3-11H,12H2,1-2H3;1H
【InChIKey】
InChIKey=WMNHNCXXLSQYFN-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1C)NC(=O)C[n+]2cc3ccccc3cn2.[I-]
【MOL File】
2-(2-(2,3-DIMETHYLAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(2,3-DIMETHYLANILINO)-2-OXOETHYL)PHTHALAZIN-2-IUM IODIDE.cml