L-Abrine
- Product NameL-Abrine
- CAS526-31-8
- MFC12H14N2O2
- MW218.25
- EINECS208-388-5
- MOL File526-31-8.mol
Chemical Properties
| Melting point | >300 °C (dec.)(lit.) |
| alpha | D21 +44° (0.28 g in 10 ml 0.5N HCl) |
| Boiling point | 358.94°C (rough estimate) |
| Density | 1.272±0.06 g/cm3 (20 ºC 760 Torr) |
| refractive index | 65 ° (C=1, 0.5mol/L NaOH) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| solubility | H2O : 2 mg/mL (9.16 mM; ultrasonic and adjust pH to 10 with NaOH) |
| form | Cryst. |
| pka | 2.32±0.10(Predicted) |
| color | Off-white to light yellow |
| optical activity | [α]20/D +65°, c = 1 in 0.5 M NaOH |
| Merck | 14,10 |
| BRN | 86638 |
| Major Application | peptide synthesis |
| InChI | InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1 |
| InChIKey | CZCIKBSVHDNIDH-NSHDSACASA-N |
| SMILES | C(O)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)NC |
| CAS DataBase Reference | 526-31-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
