13642-29-0
1-METHYL-4-((2-OXOCYCLOHEXYL)METHYL)PYRIDINIUM IODIDE
Name1-METHYL-4-((2-OXOCYCLOHEXYL)METHYL)PYRIDINIUM IODIDE
1Identification
【Name】
1-METHYL-4-((2-OXOCYCLOHEXYL)METHYL)PYRIDINIUM IODIDE
【CAS】
【MDL】
MFCD01690994
【English Synonyms】
【Formula】
C13 H18 N O . I
【MolWeight】
331.191
【Inchi】
InChI=1S/C13H18NO.HI/c1-14-8-6-11(7-9-14)10-12-4-2-3-5-13(12)15;/h6-9,12H,2-5,10H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=PBFCUBYTGNGAIA-UHFFFAOYSA-M
【SMILES】
C[n+]1ccc(cc1)CC2CCCCC2=O.[I-]
【MOL File】
1-METHYL-4-((2-OXOCY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-((2-OXOCYCLOHEXYL)METHYL)PYRIDINIUM IODIDE.cml