Melting point |
136-139°C |
Boiling point |
609.1±65.0 °C(Predicted) |
Density |
1.226±0.06 g/cm3(Predicted) |
storage temp. |
Hygroscopic, -20°C Freezer, Under inert atmosphere |
solubility |
Chloroform (Slightly) DMSO (Slightly), Methanol (Slightly, Sonicated) |
form |
Solid |
pka |
11.99±0.45(Predicted) |
color |
White rto Off-White |
InChI |
InChI=1S/C20H29N3O3S/c1-15(2)13-23(27(25,26)18-10-8-17(21)9-11-18)14-20(24)19(22)12-16-6-4-3-5-7-16/h3-11,15,19-20,24H,12-14,21-22H2,1-2H3/t19-,20+/m0/s1 |
InChIKey |
NUMJNKDUHFCFJO-VQTJNVASSA-N |
SMILES |
C1(S(N(C[C@@H](O)[C@@H](N)CC2=CC=CC=C2)CC(C)C)(=O)=O)=CC=C(N)C=C1 |
CAS DataBase Reference |
169280-56-2 |