93101-02-1
| Name | BenzenesulfonaMide, 4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylid ene]- |
| CAS | 93101-02-1 |
| EINECS(EC#) | 1592732-453-0 |
| Molecular Formula | C19H20ClN3O4S |
| MDL Number | MFCD23703067 |
| Molecular Weight | 421.9 |
| MOL File | 93101-02-1.mol |
Chemical Properties
| Boiling point | 601.4±65.0 °C(Predicted) |
| density | 1.39 |
| solubility | DMF: 3 mg/ml; DMSO: 3 mg/ml; Ethanol: 5 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml |
| form | A neat solid |
| pka | -0.80±0.20(Predicted) |
| InChI | InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2 |
| InChIKey | BKRSVROQVRTSND-UHFFFAOYSA-N |
| SMILES | C1(S(N=C2CCCCN2CCC2=CC=C([N+]([O-])=O)C=C2)(=O)=O)=CC=C(Cl)C=C1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501 |