| Melting point |
246-248°C |
| Density |
1.1840 (rough estimate) |
| refractive index |
1.6900 (estimate) |
| storage temp. |
2-8°C |
| solubility |
H2O: soluble100mg/mL, clear to slightly hazy, colorless to yellow |
| pka |
pKa1 8.8, pKa2 10.1, pKa3 11.2(at 25℃) |
| form |
Solid |
| color |
White to Off-White |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
InChI=1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4) |
| InChIKey |
KFVSLSTULZVNPG-UHFFFAOYSA-N |
| SMILES |
C1(=CC(=CC(O)=C1)O)C(O)CNC(C)(C)C.C1(=CC(=CC(O)=C1)O)C(O)CNC(C)(C)C.S(=O)(=O)(O)O |
