201551-23-7
| Name | (1R,2R)-(–)-1,2-Bis[(2-pyridinylcarbonyl)amino]cyclohexane |
| CAS | 201551-23-7 |
| Molecular Formula | C18H20N4O2 |
| MDL Number | MFCD02684543 |
| Molecular Weight | 324.38 |
| MOL File | 201551-23-7.mol |
Chemical Properties
| Melting point | 170-174°C |
| Boiling point | 663.366±50.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.255±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | 2-8°C |
| form | solid |
| pka | 12.508±0.40(predicted) |
| Appearance | White to off-white Solid |
| Optical Rotation | [α]20/D -116°, c = 1.3 in chloroform |
| InChI | 1S/C18H20N4O2/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16/h3-6,9-14H,1-2,7-8H2,(H,21,23)(H,22,24)/t13-,14-/m1/s1 |
| InChIKey | BVYFDUZVVBXFBQ-ZIAGYGMSSA-N |
| SMILES | O=C(N[C@@H]1CCCC[C@H]1NC(=O)c2ccccn2)c3ccccn3 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |