Boc-Tyr-OMe
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Grundinformationen
- CAS
4326-36-7- Standard-SMILES
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C- InChIKey
NQIFXJSLCUJHBB-LBPRGKRZSA-N- Summenformel
- C15H21NO5
- Durchschnittliche Molmasse
- 295,33 g/mol
- Monoisotopische Masse
- 295,14197277
Namen und Bezeichner
- Bevorzugter Name
- Boc-Tyr-OMe
- IUPAC
- methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- Englischer Name
- Boc-L-Tyrosine methyl ester
- Summenformel
- C15H21NO5
- Molmasse
- 295.33
Namen und Synonyme
Boc-Tyr-OMe4326-36-7DTXSID60427077RefChem:330068DTXCID50377911805-703-3Boc-L-tyrosine methyl esterN-(tert-Butoxycarbonyl)-L-tyrosine methyl esterMFCD00191181N-Boc-L-tyrosine Methyl Estermethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoatemethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Weitere Namen anzeigen
BOC-L-TYR-OMEBoc-Tyr-OMe 97%N-BOC-L-Tyr-OmeBOC-TYROSINE-OME-Tyrosine methyLBoc-L-Tyr-Ome-OHBoc-L-Tyrosine methyMethyl N-Boc-L-tyrosinate
methyl N-(tert-butoxycarbonyl)-L-tyrosinateM03336Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateN-Boc-tyrosine methyl ester(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester(S)-2-tert-Butoxycarbonylamino-3-[4-hydroxy-phenyl]-propionic acid methyl esterOctreotide Impurity 75
Datenbank-Bezeichner
- CAS
4326-36-7- PubChem CID
- 7019130
- DTXSID
DTXSID60427077- EC Number
- 805-703-3
- Nikkaji
- J465.574E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 84,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 356
Physikochemische Eigenschaften
- Schmelzpunkt
- 100 · 100-104 °C(lit.)
- Siedepunkt
- 452.7 · 452.7±40.0 °C(Predicted)
- Dichte
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- Brechungsindex
- 50 ° · 50 ° (C=1, MeOH)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- almost transparency in Methanol
- pka
- 9.75 · 9.75±0.15(Predicted)
- Aggregatzustand
- Powder or Crystalline Powder
- Farbe
- White to pale yellow
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1
- InChIKey
- NQIFXJSLCUJHBB-LBPRGKRZSA-N
- SMILES
- C(OC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O
- CAS Datenbank
- 4326 · 4326-36-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H315 (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 exposure; Respiratory 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 2 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (25%)；Eye Irrit. 2A (25%)；STOT SE 3 (25%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29242990
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
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