4061-34-1
DIMETHYL((PHENYLCARBAMOYL)METHYL)((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM CHLORIDE
NameDIMETHYL((PHENYLCARBAMOYL)METHYL)((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM CHLORIDE
FormulaC20 H26 N3 O2 . Cl
1Identification
【Name】
DIMETHYL((PHENYLCARBAMOYL)METHYL)((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM CHLORIDE
【CAS】
【MDL】
MFCD01668873
【English Synonyms】
【Formula】
C20 H26 N3 O2 . Cl
【MolWeight】
375.897
【Inchi】
InChI=1S/C20H25N3O2.ClH/c1-15-9-8-10-16(2)20(15)22-19(25)14-23(3,4)13-18(24)21-17-11-6-5-7-12-17;/h5-12H,13-14H2,1-4H3,(H-,21,22,24,25);1H
【InChIKey】
InChIKey=JUYMNMWBPMSAPQ-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)C[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)((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM CHLORIDE.cml