117142-26-4
| Name | Boc-3-(3-pyridyl)-L-alanine |
| CAS | 117142-26-4 |
| Molecular Formula | C13H18N2O4 |
| MDL Number | MFCD00079681 |
| Molecular Weight | 266.29 |
| MOL File | 117142-26-4.mol |
Chemical Properties
| Appearance | off-white to pale yellow crystalline powder |
| Melting point | 136-142 °C |
| alpha | 15.5 º (c=1% in EtOH) |
| Boiling point | 409.5°C (rough estimate) |
| density | 1.1738 (rough estimate) |
| refractive index | 1.6450 (estimate) |
| storage temp. | −20°C |
| solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| form | Crystalline Powder |
| pka | 3.43±0.10(Predicted) |
| color | Off-white to pale yellow |
| Optical Rotation | [α]20/D +15.5±1°, c = 1% in ethanol |
| BRN | 7625087 |
| Major Application | peptide synthesis |
| InChI | InChI=1/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)7-9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/s3 |
| InChIKey | JLBCSWWZSSVXRQ-JQHDBZEONA-N |
| SMILES | [C@H](C(=O)O)(NC(=O)OC(C)(C)C)CC1=CN=CC=C1 |&1:0,r| |
| CAS DataBase Reference | 117142-26-4(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29333990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |