871355-78-1
3-(4-ALLYLPIPERAZIN-1-YL)-2-CHLOROPHENYL METHANESULFONATE
Name3-(4-ALLYLPIPERAZIN-1-YL)-2-CHLOROPHENYL METHANESULFONATE
FormulaC14 H19 Cl N2 O3 S
1Identification
【Name】
3-(4-ALLYLPIPERAZIN-1-YL)-2-CHLOROPHENYL METHANESULFONATE
【CAS】
【MDL】
MFCD11113253
【English Synonyms】
【Formula】
C14 H19 Cl N2 O3 S
【MolWeight】
330.834
【Inchi】
InChI=1S/C14H19ClN2O3S/c1-3-7-16-8-10-17(11-9-16)12-5-4-6-13(14(12)15)20-21(2,18)19/h3-6H,1,7-11H2,2H3
【InChIKey】
InChIKey=JKGSTKZWRWDIPD-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)Oc1cccc(c1Cl)N2CCN(CC2)CC=C
【MOL File】
3-(4-ALLYLPIPERAZIN-….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)
4CML File
3-(4-ALLYLPIPERAZIN-1-YL)-2-CHLOROPHENYL METHANESULFONATE.cml