HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Brom-1H-indol-3-ethylamin
2-(5-bromo-1H-indol-3-yl)ethan-1-amine hydrochloride · 5-bromotryptamin · Einecs 222-779-8 · 5-bromotryptamine · 5-bromo-1H-indole-3-ethylamine · 5-Bromo-1H-indole-3-ethanamine · 1H-Indole-3-ethanamine,5-bromo- · 5-Bromo-1H-indole-3-(ethanamine)
Identifikatoren & physikalische Daten
| CAS No. | 3610-42-2 |
|---|---|
| Summenformel | C10H11BrN2 |
| Durchschnittliche Molmasse | 239,11 g/mol |
| Monoisotopische Masse | 238,01056045 g/mol |
| SMILES | NCCc1c[nH]c2ccc(Br)cc12 |
| InChIKey | CGHUQJRRADEHTQ-UHFFFAOYSA-N |
| PubChem CID | 77158 |
| ChEMBL | CHEMBL1288717 |
| EC No. | 222-779-8 |
| DTXSID | DTXSID40957504 |
| Lokaler Name | 5-Brom-1H-indol-3-ethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 174 |
| Siedepunkt | 396.2±27.0 °C(Predicted) |
| Dichte | 1.547±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 16.24±0.30(Predicted) |
| Aggregatzustand | Solid |
| InChI | 1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2 |
| InChIKey | CGHUQJRRADEHTQ-UHFFFAOYSA-N |
| SMILES | BrC1=CC2=C(C=C1)NC=C2CCN |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
N-Boc-O-benzyl-D-tyrosine is used as a intermediate for pharmaceutical and chemical research.