4061-35-2
DIMETHYL((PHENYLCARBAMOYL)METHYL)(3-(2,6-XYLYLCARBAMOYL)PROPYL)AMMONIUM CHLORIDE
NameDIMETHYL((PHENYLCARBAMOYL)METHYL)(3-(2,6-XYLYLCARBAMOYL)PROPYL)AMMONIUM CHLORIDE
FormulaC22 H30 N3 O2 . Cl
1Identification
【Name】
DIMETHYL((PHENYLCARBAMOYL)METHYL)(3-(2,6-XYLYLCARBAMOYL)PROPYL)AMMONIUM CHLORIDE
【CAS】
【MDL】
MFCD01743827
【English Synonyms】
【Formula】
C22 H30 N3 O2 . Cl
【MolWeight】
403.951
【Inchi】
InChI=1S/C22H29N3O2.ClH/c1-17-10-8-11-18(2)22(17)24-20(26)14-9-15-25(3,4)16-21(27)23-19-12-6-5-7-13-19;/h5-8,10-13H,9,14-16H2,1-4H3,(H-,23,24,26,27);1H
【InChIKey】
InChIKey=FKDUESOKKBSVLY-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)CCC[N+](C)(C)CC(=O)Nc2ccccc2)C.[Cl-]
【MOL File】
DIMETHYL((PHENYLCARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIMETHYL((PHENYLCARBAMOYL)METHYL)(3-(2,6-XYLYLCARBAMOYL)PROPYL)AMMONIUM CHLORIDE.cml