129129-64-2
4-(AMINOCARBONYL)-1-(3-(2-((HYDROXYIMINO)METHYL)-3-METHYL-1H-IMIDAZOLIUM-1-YL)PROPYL)PYRIDINIUM DICHLORIDE
Name4-(AMINOCARBONYL)-1-(3-(2-((HYDROXYIMINO)METHYL)-3-METHYL-1H-IMIDAZOLIUM-1-YL)PROPYL)PYRIDINIUM DICHLORIDE
FormulaC14 H19 N5 O2 . 2 Cl
1Identification
【Name】
4-(AMINOCARBONYL)-1-(3-(2-((HYDROXYIMINO)METHYL)-3-METHYL-1H-IMIDAZOLIUM-1-YL)PROPYL)PYRIDINIUM DICHLORIDE
【CAS】
【MDL】
MFCD02751877
【English Synonyms】
【Formula】
C14 H19 N5 O2 . 2 Cl
【MolWeight】
360.243
【Inchi】
InChI=1S/C14H17N5O2.2ClH/c1-17-9-10-19(13(17)11-16-21)6-2-5-18-7-3-12(4-8-18)14(15)20;;/h3-4,7-11H,2,5-6H2,1H3,(H-,15,20);2*1H
【InChIKey】
InChIKey=GOQFBMDQJOINAD-UHFFFAOYSA-N
【SMILES】
C[n+]1ccn(c1/C=N/O)CCC[n+]2ccc(cc2)C(=O)N.[Cl-].[Cl-]
【MOL File】
4-(AMINOCARBONYL)-1-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(AMINOCARBONYL)-1-(3-(2-((HYDROXYIMINO)METHYL)-3-METHYL-1H-IMIDAZOLIUM-1-YL)PROPYL)PYRIDINIUM DICHLORIDE.cml