HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 89366Erstellt: 1. November 2026
2-Amino-3-(1H-indol-3-yl)propanamide
tryptophanamide · 1H-Indole-3-propanamide, α-amino- · 2-amino-3-(1H-indol-3-yl)propanamide
https://huagongshe.com/de/chemical/89366
Identifikatoren & physikalische Daten
| CAS No. | 20696-57-5 |
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| Summenformel | C11H13N3O |
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| Durchschnittliche Molmasse | 203,24 g/mol |
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| Monoisotopische Masse | 203,10586205 g/mol |
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| SMILES | NC(=O)C(N)Cc1c[nH]c2ccccc12 |
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| InChIKey | JLSKPBDKNIXMBS-UHFFFAOYSA-N |
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| PubChem CID | 89366 |
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| ChEMBL | CHEMBL1229086 |
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| EC No. | 110-546-2 |
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| DTXSID | DTXSID20874200 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 84,9 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 244 |
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| Physical Description | Solid |
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| Schmelzpunkt | 120-121 °C |
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| Siedepunkt | 498.7±40.0 °C(Predicted) |
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| Dichte | 1.302±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Aggregatzustand | Crystalline Powder |
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| pKa (Säurekonstante) | 15.99±0.50(Predicted) |
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| Farbe | Off-white |
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| InChI | 1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15) |
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| InChIKey | JLSKPBDKNIXMBS-UHFFFAOYSA-N |
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| SMILES | NC(C(N)=O)CC1=CNC2=C1C=CC=C2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, 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. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Acute Tox. 3 Oral |
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