HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-Indole-1-acetic acid
2-(1H-Indol-1-yl)acetic acid · Ai3-62651 · VITAS-BB TBB000210 · N-lindolaceticacid · INDOLE-1-ACETIC ACID · N-indole acetic acid · 1- Indole Acetic acid · INDOL-1-YL-ACETIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 24297-59-4 |
|---|---|
| Summenformel | C10H9NO2 |
| Durchschnittliche Molmasse | 175,18 g/mol |
| Monoisotopische Masse | 175,06332853 g/mol |
| SMILES | O=C(O)Cn1ccc2ccccc21 |
| InChIKey | WQJFIWXYPKYBTO-UHFFFAOYSA-N |
| PubChem CID | 90448 |
| ChEMBL | CHEMBL1333950 |
| ChEBI | CHEBI:72814 |
| EC No. | 624-396-5 |
| DTXSID | DTXSID00179023 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 205 |
| LogP (Verteilungskoeffizient) | 1.92 |
| Schmelzpunkt | 168.0 to 172.0 °C |
| Siedepunkt | 384.5±25.0 °C(Predicted) |
| Dichte | 1.23±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Acetone (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.31±0.10(Predicted) |
| Farbe | Light Orange to Dark Orange |
| CAS Datenbank | 24297-59-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Zollcode | 2933998090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Indol-1-yl-acetic Acid is a reactant used in the preparation of conformationally restrained analogs of pravadoline; nanomolar potent, enantioselective, (aminoalkyl)indole agonists of the cannabinoid receptor.