56915-10-7
4-(BIS(2-CHLOROETHYL)AMINO)-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE HYDROCHLORIDE
Name4-(BIS(2-CHLOROETHYL)AMINO)-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE HYDROCHLORIDE
FormulaC15 H19 Cl2 N3 O . Cl H
1Identification
【Name】
4-(BIS(2-CHLOROETHYL)AMINO)-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01693261
【English Synonyms】
【Formula】
C15 H19 Cl2 N3 O . Cl H
【MolWeight】
364.702
【Inchi】
InChI=1S/C15H19Cl2N3O.ClH/c1-12-14(19(10-8-16)11-9-17)15(21)20(18(12)2)13-6-4-3-5-7-13;/h3-7H,8-11H2,1-2H3;1H
【InChIKey】
InChIKey=JBZIFDJUVYABRD-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n(n1C)c2ccccc2)N(CCCl)CCCl.Cl
【MOL File】
4-(BIS(2-CHLOROETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(BIS(2-CHLOROETHYL)AMINO)-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE HYDROCHLORIDE.cml