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HCID 89557Erstellt: 26. Oktober 2026

N-[tert-Butoxycarbonyl]-S-trityl-L-cystein

BOC-L-CYS(TRT)-OH · Boc-Cys(Trt) · N-(TERT-BUTOXYCARBONYL)-S-TRITYL-L-CYSTEINE · Boc-S-Trityl-Cys-OH · Boc-Cys(Trt)-OH 97% · BOC-CYSTEINE(TRT)-OH · Boc-Cys(Trt)-OH, >=98% · BOC-L-CYSTEINE(TRITYL)

https://huagongshe.com/de/chemical/89557

Molekülstruktur von N-[tert-Butoxycarbonyl]-S-trityl-L-cystein

Identifikatoren & physikalische Daten

CAS No.21947-98-8
SummenformelC27H29NO4S
Durchschnittliche Molmasse463,6 g/mol
Monoisotopische Masse463,18172958 g/mol
SMILESCC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIKeyJDTOWOURWBDELG-UHFFFAOYSA-N
PubChem CID89557
ChEMBLCHEMBL409818
EC No.244-674-6
Lokaler NameN-[tert-Butoxycarbonyl]-S-trityl-L-cystein

Chemische & physikalische Eigenschaften

XLogP5,9
Polarare Oberfläche (TPSA)101
H-Brücken-Donoren2
H-Brücken-Akzeptoren5
Frei drehbare Bindungen10
Schwere Atome33
Formalladung0
Komplexität583
Schmelzpunkt143-146 °C(lit.)
Siedepunkt610.9±55.0 °C(Predicted)
Dichte1.200±0.06 g/cm3(Predicted)
LagerbedingungenSealed in dry,2-8°C
LöslichkeitSoluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
AggregatzustandPowder
pKa (Säurekonstante)3.82±0.10(Predicted)
FarbeWhite to off-white
BRN2028965
Hauptanwendungenpeptide synthesis
InChIKeyJDTOWOURWBDELG-QHCPKHFHSA-N
SMILESC(O)(=O)[C@H](CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(OC(C)(C)C)=O
CAS Datenbank21947-98-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.There is 1 notification provided by 1 of 4 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.
Hazard Classes and CategoriesSkin Irrit. 2 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%)
F3-10
Wassergefährdungsklasse (WGK)3
Zollcode2930 90 16
Sicherheitshinweise (S)22-24/25
Lagerklasse11 - Combustible Solids