1676-90-0
| Name | Boc-L-aspartic acid 4-tert-butyl ester |
| CAS | 1676-90-0 |
| Molecular Formula | C13H23NO6 |
| MDL Number | MFCD00076912 |
| Molecular Weight | 289.32 |
| MOL File | 1676-90-0.mol |
Chemical Properties
| Melting point | 64-67 °C |
| alpha | 2 º (c=1% in MeOH) |
| Boiling point | 432.6±40.0 °C(Predicted) |
| density | 1.139±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Soluble in methanol and dimethyl sulfoxide. |
| form | Powder |
| pka | 3.69±0.23(Predicted) |
| color | White |
| Optical Rotation | [α]20/D +2.0±0.4°, c = 1% in methanol |
| BRN | 2336144 |
| Major Application | peptide synthesis |
| InChI | InChI=1S/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m0/s1 |
| InChIKey | PHJDCONJXLIIPW-QMMMGPOBSA-N |
| SMILES | C(O)(=O)[C@H](CC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O |
| CAS DataBase Reference | 1676-90-0(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H335-H315-H319 |
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| Safety Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29241990 |
| Storage Class | 11 - Combustible Solids |
