HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(±)-2-Amino-3-methylbutan-1-ol
2-AMINO-3-METHYL-1-BUTANOL · DL-VALINOL · rac-Valinol · DL-2-AMINO-3-METHYL-1-BUTANOL · 2-AMino-3-Methyl-1-butanol 97% · 2-Amino-3-methylbutan-1-ol 95+% · DL-2-Amino-3-methyl-1-butanol,95% · rac-(R*)-3-Methyl-2-amino-1-butanol
Identifikatoren & physikalische Daten
| CAS No. | 16369-05-4 |
|---|---|
| Summenformel | C5H13NO |
| Durchschnittliche Molmasse | 103,16 g/mol |
| Monoisotopische Masse | 103,09971404 g/mol |
| SMILES | CC(C)C(N)CO |
| InChIKey | NWYYWIJOWOLJNR-UHFFFAOYSA-N |
| PubChem CID | 79019 |
| ChEBI | CHEBI:183239 |
| EC No. | 240-425-0 |
| DTXSID | DTXSID70862814 |
| Lokaler Name | (±)-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 |
| Schmelzpunkt | 31-32℃ |
| Siedepunkt | 75-77 °C8 mm Hg(lit.) |
| Dichte | 0.936 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4543(lit.) |
| Flammpunkt | 194 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in water |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 12.82±0.10(Predicted) |
| Farbe | Clear yellow |
| InChI | InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3 |
| InChIKey | NWYYWIJOWOLJNR-UHFFFAOYSA-N |
| SMILES | C(O)C(N)C(C)C |
| CAS Datenbank | 16369-05-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 29221990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Amino-3-methyl-1-butanol was used in the synthesis of 1-allyl-2-pyrroleimines. It was also used as chiral nucleophile in the total synthesis of benanomicin-pradimicin antibiotics. It was used as homochiral guest compound during synthesis of crown ethers containing two chiral subunits.