(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
- Product Name(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
- CAS105812-81-5
- MFC13H18FNO
- MW223.29
- EINECS406-030-4
- MOL File105812-81-5.mol
Chemical Properties
| Melting point | 97-101 °C |
| alpha | -38 º (c=1, MeOH) |
| Boiling point | 300.3±42.0 °C(Predicted) |
| Density | 1.092±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 14.93±0.10(Predicted) |
| color | White to Almost white |
| InChI | InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1 |
| InChIKey | CXRHUYYZISIIMT-AAEUAGOBSA-N |
| SMILES | N1(C)CC[C@@H](C2=CC=C(F)C=C2)[C@H](CO)C1 |
| CAS DataBase Reference | 105812-81-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | N-Xn,N,Xn |
| Risk Statements | 51/53-41-22 |
| Safety Statements | 61-39-26-22-37/39-24 |
| RIDADR | UN3077 |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29333999 |
