78232-25-4
4-HYDROXY-1,2,6-TRIMETHYLPYRIDINIUM IODIDE DIMETHYLCARBAMATE
Name4-HYDROXY-1,2,6-TRIMETHYLPYRIDINIUM IODIDE DIMETHYLCARBAMATE
pro_formulaC11 H17 N2 O2 . I
1Identification
【Name】
4-HYDROXY-1,2,6-TRIMETHYLPYRIDINIUM IODIDE DIMETHYLCARBAMATE
【CAS】
【MDL】
MFCD01691067
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H17 N2 O2 . I
【pro_molWeight】
336.167
【Inchi】
InChI=1S/C11H17N2O2.HI/c1-8-6-10(7-9(2)13(8)5)15-11(14)12(3)4;/h6-7H,1-5H3;1H/q+1;/p-1
【InChIKey】
InChIKey=KXTAQIBJEONAQO-UHFFFAOYSA-M
【SMILES】
Cc1cc(cc([n+]1C)C)OC(=O)N(C)C.[I-]
【MOL File】
4-HYDROXY-1,2,6-TRIM….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-HYDROXY-1,2,6-TRIMETHYLPYRIDINIUM IODIDE DIMETHYLCARBAMATE.cml