HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Indole-3-acetaldehyde
Indoleacetaldehyde · 1H-Indole-3-acetaldehyde · INDOLE3-ACETALDEHYDE · INDOL-3-ACETALDEHYDE · Tryptophan Impurity 16 · indol-3-ylacetaldehyde · (1H-Indol-3-yl)-acetaldehyde · 1H-Indole-3-acetaldehyde(9CI)
Identifikatoren & physikalische Daten
| CAS No. | 2591-98-2 |
|---|---|
| Summenformel | C10H9NO |
| Durchschnittliche Molmasse | 159,18 g/mol |
| Monoisotopische Masse | 159,06841391 g/mol |
| SMILES | O=CCc1c[nH]c2ccccc12 |
| InChIKey | WHOOUMGHGSPMGR-UHFFFAOYSA-N |
| PubChem CID | 800 |
| ChEBI | CHEBI:18086 |
| DTXSID | DTXSID90180582 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 169 |
| Physical Description | Solid |
| Collision Cross Section | 130.7 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Siedepunkt | 120 °C(Press: 10-15 Torr) |
| Dichte | 1.205±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20 ℃ |
| pKa (Säurekonstante) | 16.75±0.30(Predicted) |
| InChI | InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2 |
| InChIKey | WHOOUMGHGSPMGR-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(CC=O)=C1 |
Sicherheit & Vorschriften
| Alarmwort | Warnung |
|---|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Beschreibung
2-(1H-indol-3-yl)acetaldehyde is an indole acetaldehyde compound. It can be produced by substitution of the methyl hydrogen on the acetaldehyde by the indol-3-yl group. It is also an intermediate metabolite in the metabolism of tryptophan.
Verwenden
Tryptaldehyde is used as plasma metabolite biomarker related to secondary hyperparathyroidism and parathyroid hormone.