Dicentrin
- Product NameDicentrin
- CAS517-66-8
- CBNumberCB21178489
- MFC20H21NO4
- MW339.39
- MDL NumberMFCD00210492
- MOL File517-66-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 177-178℃ |
| Boiling point | 481℃ |
| Density | 1.266 |
| refractive index | 1.6250 (estimate) |
| Flash point | 143℃ |
| storage temp. | 4°C, protect from light |
| solubility | Soluble in DMSO |
| pka | 6.65±0.20(Predicted) |
| form | Solid |
| color | Off-white to light brown |
| InChI | InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1 |
| InChIKey | YJWBWQWUHVXPNC-AWEZNQCLSA-N |
| SMILES | N1(C)[C@]2([H])C3=C(C4=C(C=C3CC1)OCO4)C1=CC(OC)=C(OC)C=C1C2 |
| FDA UNII | J2ZGT5M0N7 |