HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
L-2-Amino-3-phenylpropan-1-ol
L-PHENYLALANINOL · (S)-(-)-2-AMINO-3-PHENYL-1-PROPANOL · H-PHENYLALANINOL · L(-)-2-AMINO-3-PHENYL-1-PROPANOL · H-PHE-OL · L-PHENYLALAINOL · (S)-PHENYLALANINOL · (S)-2-AMINO-3-PHENYL-1-PROPANOL
Identifikatoren & physikalische Daten
| CAS No. | 3182-95-4 |
|---|---|
| Summenformel | C9H13NO |
| Durchschnittliche Molmasse | 151,21 g/mol |
| Monoisotopische Masse | 151,09971404 g/mol |
| SMILES | N[C@H](CO)Cc1ccccc1 |
| InChIKey | STVVMTBJNDTZBF-VIFPVBQESA-N |
| PubChem CID | 447213 |
| ChEMBL | CHEMBL1235287 |
| ChEBI | CHEBI:45086 |
| EC No. | 221-674-4 |
| DTXSID | DTXSID001025528 |
| Lokaler Name | L-2-Amino-3-phenylpropan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 99,7 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Collision Cross Section | 128.33 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 92-94 °C(lit.) |
| Siedepunkt | 273.23°C (rough estimate) |
| Dichte | 1.0406 (rough estimate) |
| Brechungsindex | -24.5 ° (C=5, EtOH) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in chloroform, ethyl acetate, ethanol and methanol. |
| pKa (Säurekonstante) | 12.85±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light yellow |
| BRN | 2208238 |
| InChI | 1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1 |
| InChIKey | STVVMTBJNDTZBF-VIFPVBQESA-N |
| SMILES | N[C@H](CO)Cc1ccccc1 |
| CAS Datenbank | 3182-95-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Benzenepropanol, .beta.-amino-, (.beta.S)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (97.9%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3259 8/PG 3 |
| Zollcode | 29221980 |
| RTECS-Nr. | UA6900000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-24/25-27 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Enantiomer of L-Phenylalaninol, an inhibitor of intestinal Phenylalanine absorption.