75375-30-3
1-METHYL-4-(2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL)PYRIDINIUM IODIDE TRIISOBUTYRATE
Name1-METHYL-4-(2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL)PYRIDINIUM IODIDE TRIISOBUTYRATE
1Identification
【Name】
1-METHYL-4-(2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL)PYRIDINIUM IODIDE TRIISOBUTYRATE
【CAS】
【MDL】
MFCD01749572
【English Synonyms】
【Formula】
C22 H34 N O6 . I
【MolWeight】
535.412
【Inchi】
InChI=1S/C22H34NO6.HI/c1-15(2)19(24)27-12-22(13-28-20(25)16(3)4,14-29-21(26)17(5)6)18-8-10-23(7)11-9-18;/h8-11,15-17H,12-14H2,1-7H3;1H/q+1;/p-1
【InChIKey】
InChIKey=NDIVZXQMEQPFCO-UHFFFAOYSA-M
【SMILES】
CC(C)C(=O)OCC(COC(=O)C(C)C)(COC(=O)C(C)C)c1cc[n+](cc1)C.[I-]
【MOL File】
1-METHYL-4-(2-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-(2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL)PYRIDINIUM IODIDE TRIISOBUTYRATE.cml