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HCID 83169Erstellt: 26. Oktober 2026

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

H-TRP(BOC)-OH · BOC-TRP-OH · BOC-TRP · (tert-butoxycarbonyl)-L-tryptophan · BOC-L-TRP · BOC-TRYPTOPHAN · BOC-L-TRP-OH · N-BOC-L-TRYPTOPHAN

https://huagongshe.com/de/chemical/83169

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

Identifikatoren & physikalische Daten

CAS No.13139-14-5
SummenformelC16H20N2O4
Durchschnittliche Molmasse304,34 g/mol
Monoisotopische Masse304,14230712 g/mol
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKeyNFVNYBJCJGKVQK-ZDUSSCGKSA-N
PubChem CID83169
ChEMBLCHEMBL65709
ChEBICHEBI:183830
EC No.236-072-7
DTXSIDDTXSID20884506
Lokaler NameN-[(tert-Butoxy)carbonyl]-L-tryptophan

Chemische & physikalische Eigenschaften

XLogP2
Polarare Oberfläche (TPSA)91,4
H-Brücken-Donoren3
H-Brücken-Akzeptoren4
Frei drehbare Bindungen6
Schwere Atome22
Formalladung0
Komplexität419
Schmelzpunkt136 °C (dec.)(lit.)
Siedepunkt445.17°C (rough estimate)
Dichte1.1328 (rough estimate)
Brechungsindex-17.5 ° (C=2, DMF)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
LöslichkeitSoluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pKa (Säurekonstante)4.00±0.10(Predicted)
AggregatzustandPowder
FarbeWhite to off-white
BRN39677
Hauptanwendungenpeptide synthesis
InChI1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyNFVNYBJCJGKVQK-ZDUSSCGKSA-N
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
CAS Datenbank13139-14-5(CAS DataBase Reference)
EPA chemische InformationenL-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]- (13139-14-5)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
Zollcode29339900
R-Sätze (R)20/21/22-36/37/38
GefahrensymboleXn
Sicherheitshinweise (S)22-24/25-36-26
GefahrenklasseIRRITANT
Lagerklasse11 - Combustible Solids