(2S)-(1-Tetrahydropyramid-2-one)-3-methylbutanoic acid
- Product Name(2S)-(1-Tetrahydropyramid-2-one)-3-methylbutanoic acid
- CAS192725-50-1
- CBNumberCB8777069
- MFC9H16N2O3
- MW200.23
- EINECS430-900-2
- MDL NumberMFCD06797211
- MOL File192725-50-1.mol
Chemical Properties
| Melting point | 166-168oC |
| Boiling point | 440.8±24.0 °C(Predicted) |
| Density | 1.176 |
| vapor pressure | 0-0Pa at 20-25℃ |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.39±0.10(Predicted) |
| color | White to Beige |
| InChI | InChI=1/C9H16N2O3/c1-6(2)7(8(12)13)11-5-3-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/s3 |
| InChIKey | AFGBRTKUTJQHIP-KPOCXSGKNA-N |
| SMILES | N1(CCCNC1=O)[C@@H](C(C)C)C(O)=O |&1:7,r| |
| LogP | 0.17 at 21℃ |
| Surface tension | 63.3-66.4mN/m at 100-1000mg/L and 20℃ |
| CAS DataBase Reference | 192725-50-1(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H312-H332 |
| Precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 |
| Risk Statements | 36 |
| Safety Statements | 26 |
