HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
DL-beta-Phenylalanine
3-(3-Aminophenyl)propanoic acid · 3-(3-AMINOPHENYL)PRO · 3-(2-Carboxyethyl)aniline · m-Aminohydrocinnamic acid · 3-aminohydrocinnamic acid · 3-aminophenylpropanoicacid · 3-Aminobenzenepropanoicacid · 3-Aminobenzenepropionic acid
Identifikatoren & physikalische Daten
| CAS No. | 1664-54-6 |
|---|---|
| Summenformel | C9H11NO2 |
| Durchschnittliche Molmasse | 165,19 g/mol |
| Monoisotopische Masse | 165,07897859 g/mol |
| SMILES | NC(CC(=O)O)c1ccccc1 |
| InChIKey | UJOYFRCOTPUKAK-UHFFFAOYSA-N |
| PubChem CID | 69189 |
| ChEBI | CHEBI:68528 |
| EC No. | 210-371-2 |
| DTXSID | DTXSID70870691 |
Chemische & physikalische Eigenschaften
| XLogP | -1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 153 |
| Schmelzpunkt | 99 °C |
| Siedepunkt | 356.2±17.0 °C(Predicted) |
| Dichte | 1.217±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 4.71±0.10(Predicted) |
| Farbe | Light brown |
| BRN | 2804090 |
| InChI | InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12) |
| InChIKey | SBHFVSXLYOBZKD-UHFFFAOYSA-N |
| SMILES | C1(CCC(O)=O)=CC=CC(N)=C1 |
| CAS Datenbank | 1664-54-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (97.4%): Flammable solid [Danger Flammable solids]P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 13-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34196 |
| Hazard Classes and Categories | Flam. Sol. 1 (97.4%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2916399090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
3-(3-Aminophenyl)propionic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.