cacotheline
Modify Date: 2025-08-25 12:56:18
cacotheline structure
|
Common Name | cacotheline | ||
|---|---|---|---|---|
| CAS Number | 561-20-6 | Molecular Weight | 427.40700 | |
| Density | 1.62 g/cm3 | Boiling Point | 695.8ºC at 760 mmHg | |
| Molecular Formula | C21H21N3O7 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 374.6ºC | |
| Name | cacotheline |
|---|---|
| Synonym | More Synonyms |
| Density | 1.62 g/cm3 |
|---|---|
| Boiling Point | 695.8ºC at 760 mmHg |
| Molecular Formula | C21H21N3O7 |
| Molecular Weight | 427.40700 |
| Flash Point | 374.6ºC |
| Exact Mass | 427.13800 |
| PSA | 141.76000 |
| LogP | 0.82490 |
| Index of Refraction | 1.71 |
| InChIKey | IVEMPCACOMNRGI-OFDJEBHLSA-N |
| SMILES | O=C(O)CC1OCC=C2CN3CCC45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6NC4C1C2CC35 |
| Safety Phrases | S22-S24/25 |
|---|---|
| RIDADR | 2811 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| 4-Nitro-2,3-dioxo-2,3-dihydro-9,10-seco-strychnidin-10-saeure |
| 2,3-Dihydro-4-nitro-2,3-dioxo-9,10-secostrychinidin-10-oic acid |
| 4-nitro-2,3-dioxo-2,3-dihydro-9,10-seco-strychnidin-10-oic acid |
| MFCD00077211 |
| NITROBRUCIQUINONE |
| CACOTHELIN |
| EINECS 209-215-6 |
| 2,3-dihydro-4-nitro-2,3-dioxo-10-secostrychnidin-10-oicacid |
| nitrobrucine |
| Cacotheline Monohydrate |