Nα-Acetyl-DL-tryptophan

DL-N-Acetyltryptophan · AC-DL-TRP-OH · acetyltryptophan · AC-DL-Trp · AURORA 2470 · N-Ac-DL-Trp-OH · N-ACETYL-DL-TRP · AKOS BBS-00007672

https://huagongshe.com/de/chemical/2002

Molekülstruktur von Nα-Acetyl-DL-tryptophan

Identifikatoren & physikalische Daten

CAS No.	1218-34-4
Summenformel	C13H14N2O3
Durchschnittliche Molmasse	246,26 g/mol
Monoisotopische Masse	246,10044231 g/mol
SMILES	CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIKey	DZTHIGRZJZPRDV-UHFFFAOYSA-N
PubChem CID	2002
ChEMBL	CHEMBL1905494
ChEBI	CHEBI:70976
EC No.	201-739-3
DTXSID	DTXSID40861672
Lokaler Name	Nα-Acetyl-DL-tryptophan

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	82,2
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	18
Formalladung	0
Komplexität	332
Physical Description	Beige powder[Sigma-Aldrich MSDS]
Collision Cross Section	157.36 Å² [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]151.44 Å² [M+H]+ [CCS Type: TW155.4 Å² [M+Na]+ [CCS Type: TW146.86 Å² [M+H-H2O]+ [CCS Type: TW153.8 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]158.3 Å² [M-H]- [CCS Type: DT158.5 Å² [M+Na]+ [CCS Type: DT153.4 Å² [M+H]+158.6 Å² [M-H]-158.1 Å² [M+Na]+
Schmelzpunkt	204-206 °C (dec.) (lit.)
Siedepunkt	389.26°C (rough estimate)
Dichte	1.1855 (rough estimate)
Dampfdruck	<0.00005 mPa ( 20 °C)
Brechungsindex	1.6450 (estimate)
Lagerbedingungen	2-8°C
Löslichkeit	Slightly soluble in water, very soluble in ethanol (96 per cent). It dissolves in dilute solutions of alkali hydroxides.INSOLUBLE IN COLD WATER
pKa (Säurekonstante)	3.65±0.10(Predicted)
Aggregatzustand	Powder
Farbe	White to light yellow
pH	3.25 (20°C, 0.5g/L in H2O)
Biologische Quelle	synthetic
BRN	89478
Stabilität	Stable. Incompatible with strong oxidizing agents.
Hauptanwendungen	liquid formulationparenteralspharma/biopharma processes
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)
InChIKey	DZTHIGRZJZPRDV-UHFFFAOYSA-N
SMILES	CC(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
LogP (Verteilungskoeffizient)	-0.408 (est)
CAS Datenbank	87-32-1(CAS DataBase Reference)
NIST chemische Informationen	Acetyl-dl-tryptophan(87-32-1)
EPA chemische Informationen	Tryptophan, N-acetyl- (87-32-1)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 97.6% (41 of 42) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 41 of 42 companies (only 2.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 41 of 42 reports by companies.There is 1 notification provided by 1 of 42 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Status: Active Update: 19-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24518Tryptophan, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	May cause irritation[Sigma-Aldrich MSDS] See Tryptophan.
Hazard Classes and Categories	Not Classified
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29339990
hazard_note	Keep Cold
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

N-Acetyl-DL-tryptophan is produced via chemical synthesis using the standard amino acid, tryptophan. It can be used in downstream applications of biopharmaceutical production as a transfer agent or stabilizer.