HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6931633Erstellt: 23. Oktober 2026
tert-butyl (2S)-2-amino-3-phenylpropanoate
tert-butyl L-Phenylalaninate · L-Phe-Otbu · L-Phe-OBut · L-Phenylalanine tert-butyl · QOISWWBTZMFUEL-NSHDSACASA-N · L-PHENYLALANINE-T-BUTYL ESTER · Phenylalanine tert-butyl ester · (S)-3-PHENYLALANINE T-BUTYL ESTER
https://huagongshe.com/de/chemical/6931633
Identifikatoren & physikalische Daten
| CAS No. | 16874-17-2 |
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| Summenformel | C13H19NO2 |
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| Durchschnittliche Molmasse | 221,29 g/mol |
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| Monoisotopische Masse | 221,14157885 g/mol |
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| SMILES | CC(C)(C)OC(=O)[C@@H](N)Cc1ccccc1 |
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| InChIKey | QOISWWBTZMFUEL-NSHDSACASA-N |
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| PubChem CID | 6931633 |
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| ChEMBL | CHEMBL1229071 |
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| EC No. | 822-393-5 |
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| DTXSID | DTXSID10426131 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 52,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 227 |
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| Siedepunkt | 140 °C(Press: 3 Torr) |
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| Dichte | 1.042±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 7.09±0.33(Predicted) |
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| InChI | 1S/C13H19NO2/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/t11-/m0/s1 |
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| InChIKey | QOISWWBTZMFUEL-NSHDSACASA-N |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2 |
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