34197-47-2
4-METHYLUMBELLIFERYL P-TRIMETHYLAMMONIOCINNAMATE CHLORIDE
Name4-METHYLUMBELLIFERYL P-TRIMETHYLAMMONIOCINNAMATE CHLORIDE
1Identification
【Name】
4-METHYLUMBELLIFERYL P-TRIMETHYLAMMONIOCINNAMATE CHLORIDE
【CAS】
【MDL】
MFCD00063503
【English Synonyms】
【Formula】
C22 H22 N O4 . Cl
【MolWeight】
399.872
【Inchi】
InChI=1S/C22H22NO4.ClH/c1-15-13-22(25)27-20-14-18(10-11-19(15)20)26-21(24)12-7-16-5-8-17(9-6-16)23(2,3)4;/h5-14H,1-4H3;1H/q+1;/p-1/b12-7+;
【InChIKey】
InChIKey=XCHUIXZPWRRVAH-RRAJOLSVSA-M
【SMILES】
Cc1cc(=O)oc2c1ccc(c2)OC(=O)/C=C/c3ccc(cc3)[N+](C)(C)C.[Cl-]
【MOL File】
4-METHYLUMBELLIFERYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
4-METHYLUMBELLIFERYL P-TRIMETHYLAMMONIOCINNAMATE CHLORIDE.cml