123653-11-2

Name NS-398
CAS 123653-11-2
Molecular Formula C13H18N2O5S
MDL Number MFCD00882995
Molecular Weight 314.36
MOL File 123653-11-2.mol

Chemical Properties

Melting point  124-126 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling point  490.6±55.0 °C(Predicted)
density  1.377±0.06 g/cm3(Predicted)
RTECS  PB0473500
storage temp.  Store at RT
solubility  DMSO: >5 mg/mL
form  solid
pka 6.33±0.10(Predicted)
color  off-white
InChI 1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChIKey KTDZCOWXCWUPEO-UHFFFAOYSA-N
SMILES CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]([O-])=O

Safety Data

Safety Statements 
WGK Germany  3
HS Code  2935.90.9500
Storage Class 11 - Combustible Solids

Raw materials And Preparation Products

Hazard Information

Spectrum Detail

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