406920-76-1
| Name | (3S)-(+)-3-(1-METHYL-1H-INDOL-3-YL)-1-BUTANOL |
| CAS | 406920-76-1 |
| Molecular Formula | C13H17NO |
| MDL Number | MFCD05664287 |
| Molecular Weight | 203.28 |
| MOL File | 406920-76-1.mol |
Chemical Properties
| Boiling point | 362.1±17.0 °C(Predicted) |
| density | 1.06±0.1 g/cm3(Predicted) |
| refractive index | n |
| Fp | 100 °C |
| pka | 15.07±0.10(Predicted) |
| Optical Rotation | [α]20/D +13°, c = 1% in chloroform |
| InChI | 1S/C13H17NO/c1-10(7-8-15)12-9-14(2)13-6-4-3-5-11(12)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m0/s1 |
| InChIKey | WHQZINALYHALBY-JTQLQIEISA-N |
| SMILES | C[C@@H](CCO)c1cn(C)c2ccccc12 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |