596107-59-4
2-(2-OXO-2-(4-PROPIONYLANILINO)ETHYL)PHTHALAZIN-2-IUM IODIDE
Name2-(2-OXO-2-(4-PROPIONYLANILINO)ETHYL)PHTHALAZIN-2-IUM IODIDE
1Identification
【Name】
2-(2-OXO-2-(4-PROPIONYLANILINO)ETHYL)PHTHALAZIN-2-IUM IODIDE
【CAS】
【MDL】
MFCD03932100
【English Synonyms】
【Formula】
C19 H18 N3 O2 . I
【MolWeight】
447.27
【Inchi】
InChI=1S/C19H17N3O2.HI/c1-2-18(23)14-7-9-17(10-8-14)21-19(24)13-22-12-16-6-4-3-5-15(16)11-20-22;/h3-12H,2,13H2,1H3;1H
【InChIKey】
InChIKey=IKTXFHQZMCOUFT-UHFFFAOYSA-N
【SMILES】
CCC(=O)c1ccc(cc1)NC(=O)C[n+]2cc3ccccc3cn2.[I-]
【MOL File】
2-(2-OXO-2-(4-PROPIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-OXO-2-(4-PROPIONYLANILINO)ETHYL)PHTHALAZIN-2-IUM IODIDE.cml