647825-22-7
1-[6-[(5-METHYLISOXAZOL-3-YL)AMINO]-6-OXOHEXYL]PYRIDINIUM CHLORIDE
Name1-[6-[(5-METHYLISOXAZOL-3-YL)AMINO]-6-OXOHEXYL]PYRIDINIUM CHLORIDE
FormulaC15 H20 N3 O2 . Cl
1Identification
【Name】
1-[6-[(5-METHYLISOXAZOL-3-YL)AMINO]-6-OXOHEXYL]PYRIDINIUM CHLORIDE
【CAS】
【MDL】
MFCD00112204
【English Synonyms】
【Formula】
C15 H20 N3 O2 . Cl
【MolWeight】
309.795
【Inchi】
InChI=1S/C15H19N3O2.ClH/c1-13-12-14(17-20-13)16-15(19)8-4-2-5-9-18-10-6-3-7-11-18;/h3,6-7,10-12H,2,4-5,8-9H2,1H3;1H
【InChIKey】
InChIKey=DLHQAAAWMWUWEP-UHFFFAOYSA-N
【SMILES】
Cc1cc(no1)NC(=O)CCCCC[n+]2ccccc2.[Cl-]
【MOL File】
1-[6-[(5-METHYLISOXA….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
1-[6-[(5-METHYLISOXAZOL-3-YL)AMINO]-6-OXOHEXYL]PYRIDINIUM CHLORIDE.cml