![(S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine Structure](/CAS/GIF/131180-63-7.gif)
(S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine
- Product Name(S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine
- CAS131180-63-7
- MFC21H27NO
- MW309.45
- EINECS
- MOL File131180-63-7.mol
Chemical Properties
| Melting point | 98-101 °C |
| Boiling point | 488.2±35.0 °C(Predicted) |
| Density | 1.068±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 13.70±0.29(Predicted) |
| Appearance | White to yellow Solid |
| optical activity | Consistent with structure |
| InChI | InChI=1/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/s3 |
| InChIKey | MXIOBZPVLNQGIU-FQEVSTJZSA-N |
| SMILES | C1N[C@H](C(O)(C2C=C(C)C=C(C)C=2)C2C=C(C)C=C(C)C=2)CC1 |&1:2,r| |
Safety Information
| Hazard Codes | Xn,N |
| Risk Statements | 22-50/53 |
| Safety Statements | 60-61 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 |