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L-2-Amino-3-methylbutan-1-ol
L-VALINOL · S-VALINOL · L-VALINAL · M0 · H-VAL-OL · l-2-amino-3-methylbutan-1-ol · L-2-AMINO-3-METHYL-1-BUTANOL · (S)-2-AMINO-3-METHYL-1-BUTANOL
Identifikatoren & physikalische Daten
| CAS No. | 2026-48-4 |
|---|---|
| Summenformel | C5H13NO |
| Durchschnittliche Molmasse | 103,16 g/mol |
| Monoisotopische Masse | 103,09971404 g/mol |
| SMILES | CC(C)[C@H](N)CO |
| InChIKey | NWYYWIJOWOLJNR-RXMQYKEDSA-N |
| PubChem CID | 640993 |
| EC No. | 217-975-5 |
| DTXSID | DTXSID901318132 |
| Lokaler Name | L-2-Amino-3-methylbutan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 45,3 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 30-34 °C |
| Siedepunkt | 81 °C8 mm Hg(lit.) |
| Dichte | 0.926 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4548(lit.) |
| Flammpunkt | 196 °F |
| Lagerbedingungen | Store at +2°C to +8°C. |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Soluble in water. |
| Aggregatzustand | Liquid After Melting |
| pKa (Säurekonstante) | 12.82±0.10(Predicted) |
| Farbe | Clear slightly yellow |
| BRN | 1719137 |
| InChI | 1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1 |
| InChIKey | NWYYWIJOWOLJNR-RXMQYKEDSA-N |
| SMILES | CC(C)[C@H](N)CO |
| CAS Datenbank | 2026-48-4(CAS DataBase Reference) |
| NIST chemische Informationen | (S)-(+)-2-Amino-3-methyl-1-butanol(2026-48-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.5% (4 of 53) of reports.WarningH315 (15.1%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1-Butanol, 2-amino-3-methyl-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (15.1%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29221980 |
| R-Sätze (R) | 36-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-24/25-36 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
L-Valinol is used as a reagent in the synthesis of simple 1,3-thiazolidine-2-thione derivatives which can exhibit fungicidal activity. L-Valinol is also used as a reagent in the synthesis of small-molecule inhibitors of MDM2-p53 protein-protein interaction (MDM2 inhibitors) in clinical trials for the treatment of cancer.