1. Primary Information
| English name: | 3-Cyano-L-alanine |
| CAS No.: | 6232-19-5 |
| Molecular formula: | C4H6N2O2 |
| Molecular weight: | 114.10 g/mol |
| SMILES: | C(C#N)C(C(=O)O)N |
| Structural class: | |
| Other identifiers: |
3-cyanoalanine 3-cyanoalanine, (D)-isomer 3-cyanoalanine, (L)-isomer beta-cyano-D-alanine beta-cyano-L-alanine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | 98% | 1600 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 649 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 840 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 1288 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-2-amino-3-cyanopropanoic acid
4.2 InChI
InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
4.3 InChIKey
BXRLWGXPSRYJDZ-VKHMYHEASA-N
4.4 Canonical SMILES
C(C#N)C(C(=O)O)N
4.5 Isomeric SMILES
C(C#N)[C@@H](C(=O)O)N
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
