HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-3,3-dimethylbutanoic acid
tert-leucine · (S)-TERT-LEUCINE · TERT-BUTYLGLYCINE · H-TLE-OH · L-T-LEUCINE · L-TLE · H-TBU-GLY-OH · D-L-Tle
Identifiers & Physical Properties
| CAS No. | 20859-02-3 |
|---|---|
| Molecular formula | C6H13NO2 |
| Average molar mass | 131.17 g/mol |
| SMILES | CC(C)(C)C(N)C(=O)O |
| InChIKey | NPDBDJFLKKQMCM-UHFFFAOYSA-N |
| PubChem CID | 306131 |
| ChEBI | CHEBI:72770 |
| EC No. | 608-831-6 |
| DTXSID | DTXSID00308412 |
Chemical & Physical Properties
| XLogP | -1.8 |
|---|---|
| Topological polar surface area | 63.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 115 |
| Melting point | >300 °C (lit.) |
| Boiling point | 242.49°C (rough estimate) |
| Density | 1.0975 (rough estimate) |
| Refractive index | 1.4240 (estimate) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | H2O: 0.1 g/mL, clear, colorlesssoluble |
| pKa (acidity coefficient) | 2.39±0.12(Predicted) |
| Physical state | Solid |
| Color | White to off-white |
| BRN | 1721823 |
| Major applications | peptide synthesis |
| InChI | InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9) |
| InChIKey | NPDBDJFLKKQMCM-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(C(C)(C)C)N |
| CAS DataBase Reference | 33105-81-6(CAS DataBase Reference) |
| FDA UNII | PS3VJY8XHI |
| UNSPSC Code | 12352209 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Safety statements (S) | 22-24/25 |
| Water hazard class (WGK) | 3 |
| Customs code | 29224995 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29224995 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 22-24/25 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Applications & Uses
Uses
peptide synthesis