HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 700653Erstellt: 26. Oktober 2026
N-Acetyl-L-tryptophan
AC-TRP-OH · Ac-L-Trp-OH · l-tryptopha · ACETYL-L-TRYPTOPHAN · N-ACETYL-TRYPTOPHAN · Ac-Try · Ace-Trp-OH · N-Ac-L-Trp
https://huagongshe.com/de/chemical/700653
Identifikatoren & physikalische Daten
| CAS No. | 1218-34-4 |
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| Summenformel | C13H14N2O3 |
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| Durchschnittliche Molmasse | 246,26 g/mol |
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| Monoisotopische Masse | 246,10044231 g/mol |
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| SMILES | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
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| InChIKey | DZTHIGRZJZPRDV-LBPRGKRZSA-N |
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| PubChem CID | 700653 |
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| ChEMBL | CHEMBL54170 |
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| ChEBI | CHEBI:74640 |
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| EC No. | 214-935-9 |
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| DTXSID | DTXSID10883669 |
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| Lokaler Name | N-Acetyl-L-tryptophan |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 82,2 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 332 |
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| LogP (Verteilungskoeffizient) | 0.57 |
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| Schmelzpunkt | 189.5 °C186°C |
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| Physical Description | Solid |
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| Collision Cross Section | 152.3 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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| Siedepunkt | 389.26°C (rough estimate) |
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| Dichte | 1.1855 (rough estimate) |
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| Brechungsindex | 1.6450 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
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| Aggregatzustand | Powder |
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| pKa (Säurekonstante) | 3.65±0.10(Predicted) |
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| Farbe | White to Off-white |
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| Stabilität | Stable. Incompatible with strong oxidizing agents. |
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| Kosmetik-Inhaltsstoffe Funktionen | SKIN PROTECTINGSKIN CONDITIONING |
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| InChI | 1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1 |
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| InChIKey | DZTHIGRZJZPRDV-LBPRGKRZSA-N |
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| SMILES | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |
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| LogP (Verteilungskoeffizient) | 0.702 (est) |
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| CAS Datenbank | 1218-34-4(CAS DataBase Reference) |
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| NIST chemische Informationen | L-tryptophan, n-acetyl-(1218-34-4) |
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| EPA chemische Informationen | L-Tryptophan, N-acetyl- (1218-34-4) |
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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 | Skin Irrit. 2 (50%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29339900 |
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| RTECS-Nr. | YN6160000 |
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| Lagerklasse | 11 - Combustible Solids |
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