HuagongsheHuagongshe Chemistry Print Report · For research reference only
(+)-L-Leucine methyl ester
(S)-Methyl 2-amino-4-methylpentanoate · (S)-Leu-OMe · Leucine methyl · L-Leucine methyl · L-METHYL-LEUCINE · methyl L-leucinate · leucine methyl ester · methyl (2S)-2-amino-4-methylpentanoate
Identifiers & Physical Properties
| CAS No. | 2666-93-5 |
|---|---|
| Molecular formula | C7H15NO2 |
| Average molar mass | 145.2 g/mol |
| Monoisotopic mass | 145.11027872 g/mol |
| SMILES | COC(=O)[C@@H](N)CC(C)C |
| InChIKey | QVDXUKJJGUSGLS-LURJTMIESA-N |
| PubChem CID | 65105 |
| ChEMBL | CHEMBL1229070 |
| ChEBI | CHEBI:44075 |
| EC No. | 220-205-0 |
| DTXSID | DTXSID30883883 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 52.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 112 |
| SpringerMaterials Properties | Boiling point |
| Boiling point | 79-79.5 °C(Press: 2 Torr) |
| Density | 0.9533 g/cm3(Temp: 17 °C) |
| Storage conditions | 2-8°C(protect from light) |
| pKa (acidity coefficient) | 7.95±0.42(Predicted) |
| FDA UNII | G3M3TO108Y |
| EPA Substance Registry System | L-Leucine, methyl ester (2666-93-5) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| GHS classification | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: L-Leucine, methyl ester |
| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
| TSCA inventory status | TSCA listed |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
Methyl L-leucinate, methyl ester of L-leucine, is an alpha-amino acid ester. Methyl L-leucinate is a derivative of methyl ester and L-leucine, a class of compounds containing both amino and carboxyl groups in the molecule[1].