1. Primary Information
| English name: | Ectoine |
| CAS No.: | 96702-03-3 |
| Molecular formula: | C6H10N2O2 |
| Molecular weight: | 142.16 g/mol |
| SMILES: | CC1=NCCC(N1)C(=O)O |
| Structural class: | |
| Other identifiers: |
1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid ectoin ectoine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | ≥98%(HPLC) | 24 | RT | in stock | - |
| Kehua Intelligence | 1g | ≥98%(HPLC) | 28 | RT | in stock | - |
| Kehua Intelligence | 5g | ≥98%(HPLC) | 87 | RT | in stock | - |
| Kehua Intelligence | 25g | ≥98%(HPLC) | 318 | RT | in stock | - |
| Kehua Intelligence | 100g | ≥98%(HPLC) | 1120 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
4.2 InChI
InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
4.3 InChIKey
WQXNXVUDBPYKBA-YFKPBYRVSA-N
4.4 Canonical SMILES
CC1=NCCC(N1)C(=O)O
4.5 Isomeric SMILES
CC1=NCC[C@H](N1)C(=O)O
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
