103548-82-9
| Name | Huperzine B |
| CAS | 103548-82-9 |
| Molecular Formula | C16H20N2O |
| MDL Number | MFCD01716207 |
| Molecular Weight | 256.347 |
| MOL File | 103548-82-9.mol |
Chemical Properties
| Boiling point | 533.5±50.0 °C(Predicted) |
| density | 1.21±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMF:1.0(Max Conc. mg/mL);3.9(Max Conc. mM) DMSO:1.0(Max Conc. mg/mL);3.9(Max Conc. mM) Ethanol:2.0(Max Conc. mg/mL);7.8(Max Conc. mM) |
| form | A solid |
| pka | 12.92±0.40(Predicted) |
| color | White to off-white |
| InChI | InChI=1/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/s3 |
| InChIKey | YYWGABLTRMRUIT-YQLZAFFXNA-N |
| SMILES | [C@@]123NCCC[C@]1([H])[C@]([H])(CC1NC(=O)C=CC2=1)C=C(C)C3 |&1:0,5,7,r| |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H310-H300-H330 |
| Precautionary statements | P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501 |