52001-11-3
4-METHYL(DI-PYRROL-2-YL-METHYL)PYRIDINIUM IODIDE
Name4-METHYL(DI-PYRROL-2-YL-METHYL)PYRIDINIUM IODIDE
1Identification
【Name】
4-METHYL(DI-PYRROL-2-YL-METHYL)PYRIDINIUM IODIDE
【CAS】
【MDL】
MFCD10700168
【English Synonyms】
【Formula】
C15 H16 N3 . I
【MolWeight】
365.212
【Inchi】
InChI=1S/C15H16N3.HI/c1-18-10-6-12(7-11-18)15(13-4-2-8-16-13)14-5-3-9-17-14;/h2-11,15-17H,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=DRWLEKLUAKHPAM-UHFFFAOYSA-M
【SMILES】
C[n+]1ccc(cc1)C(c2ccc[nH]2)c3ccc[nH]3.[I-]
【MOL File】
4-METHYL(DI-PYRROL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL(DI-PYRROL-2-YL-METHYL)PYRIDINIUM IODIDE.cml