110429-36-2
| Name | N-Methylparoxetine |
| CAS | 110429-36-2 |
| EINECS(EC#) | 1312995-182-4 |
| Molecular Formula | C20H22FNO3 |
| MDL Number | MFCD03788781 |
| Molecular Weight | 343.39 |
| MOL File | 110429-36-2.mol |
Chemical Properties
| Melting point | 109.0 to 113.0 °C |
| Boiling point | 443.7±45.0 °C(Predicted) |
| density | 1.198±0.06 g/cm3(Predicted) |
| storage temp. | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | neat |
| pka | 8.48±0.20(Predicted) |
| color | Off-White to Pale Yellow |
| Usage | A drug impurity of Paroxetin, a selective serotonin reuptake inhibitor. |
| BRN | 7468178 |
| Major Application | pharmaceutical |
| InChI | InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/t15-,18-/m0/s1 |
| InChIKey | MOJZPKOBKCXNKG-YJBOKZPZSA-N |
| SMILES | N1(C)CC[C@@H](C2=CC=C(F)C=C2)[C@H](COC2=CC=C3OCOC3=C2)C1 |
| CAS DataBase Reference | 110429-36-2(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H301-H410 |
| Precautionary statements | P264-P270-P273-P301+P310-P391-P405 |
| Hazard Codes | T,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | WGK 3 |
| HS Code | 2933.39.9200 |
| REACH Registrations | Active |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 |