4169-39-5
DIMETHYL((2,4-XYLYLCARBAMOYL)METHYL)((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM CHLORIDE
NameDIMETHYL((2,4-XYLYLCARBAMOYL)METHYL)((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM CHLORIDE
FormulaC22 H30 N3 O2 . Cl
1Identification
【Name】
DIMETHYL((2,4-XYLYLCARBAMOYL)METHYL)((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM CHLORIDE
【CAS】
【MDL】
MFCD01668889
【English Synonyms】
【Formula】
C22 H30 N3 O2 . Cl
【MolWeight】
403.951
【Inchi】
InChI=1S/C22H29N3O2.ClH/c1-15-10-11-19(18(4)12-15)23-20(26)13-25(5,6)14-21(27)24-22-16(2)8-7-9-17(22)3;/h7-12H,13-14H2,1-6H3,(H-,23,24,26,27);1H
【InChIKey】
InChIKey=QIABRHAKQAOTHO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)NC(=O)C[N+](C)(C)CC(=O)Nc2c(cccc2C)C.[Cl-]
【MOL File】
DIMETHYL((2,4-XYLYLC….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((2,4-XYLYLCARBAMOYL)METHYL)((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM CHLORIDE.cml