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HCID 117439Erstellt: 26. Oktober 2026

N-[(tert-Butoxy)carbonyl]-L-tyrosin

BOC-TYR-OH · Boc-Tyr · (tert-butoxycarbonyl)-L-tyrosine · BOC-L-TYR-OH · BOC-TYROSINE · N-BOC-L-TYROSINE · N-(TERT-BUTOXYCARBONYL)-L-TYROSINE · (2S)-3-(4-Hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

https://huagongshe.com/de/chemical/117439

Molekülstruktur von N-[(tert-Butoxy)carbonyl]-L-tyrosin

Identifikatoren & physikalische Daten

CAS No.3978-80-1
SummenformelC14H19NO5
Durchschnittliche Molmasse281,3 g/mol
Monoisotopische Masse281,12632271 g/mol
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIKeyCNBUSIJNWNXLQQ-NSHDSACASA-N
PubChem CID117439
ChEMBLCHEMBL65386
ChEBICHEBI:231573
EC No.223-613-7
DTXSIDDTXSID101317235
Lokaler NameN-[(tert-Butoxy)carbonyl]-L-tyrosin

Chemische & physikalische Eigenschaften

XLogP1,5
Polarare Oberfläche (TPSA)95,9
H-Brücken-Donoren3
H-Brücken-Akzeptoren5
Frei drehbare Bindungen6
Schwere Atome20
Formalladung0
Komplexität342
Schmelzpunkt133-135 °C(lit.)
Siedepunkt423.97°C (rough estimate)
Dichte1.1755 (rough estimate)
Brechungsindex1.5230 (estimate)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
LöslichkeitDMSO (Slightly), Methanol (Sparingly)
pKa (Säurekonstante)2.98±0.10(Predicted)
AggregatzustandPowder
FarbeWhite to off-white
BRN2816406
Hauptanwendungenpeptide synthesis
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyCNBUSIJNWNXLQQ-NSHDSACASA-N
SMILESC(O)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O
CAS Datenbank3978-80-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.WarningH315 (62.5%): Causes skin irritation [Warning Skin corrosion/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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenL-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (62.5%)
Wassergefährdungsklasse (WGK)3
Zollcode29242990
R-Sätze (R)36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)22-24/25-36-26
Lagerklasse11 - Combustible Solids