1. Primary Information
| English name: | L-Isoleucine methyl ester hydrochloride |
| CAS No.: | 18598-74-8 |
| Molecular formula: | C7H16ClNO2 |
| Molecular weight: | 181.66 g/mol |
| SMILES: | CCC(C)C(C(=O)OC)N.Cl |
| Structural class: | |
| Other identifiers: |
isoleucine methyl ester isoleucine methyl ester hydrochloride |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | 特纯，98% | 24 | RT | in stock | - |
| Kehua Intelligence | 25g | 特纯，98% | 72 | RT | in stock | - |
| Kehua Intelligence | 100g | 特纯，98% | 192 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
4.2 InChI
InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m0./s1
4.3 InChIKey
GGTBEWGOPAFTTH-GEMLJDPKSA-N
4.4 Canonical SMILES
CCC(C)C(C(=O)OC)N.Cl
4.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)OC)N.Cl
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
-- No 3D model data available --
