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HCID 70652Erstellt: 25. Oktober 2026

Methyl-L-tyrosinat

H-TYR-OME · L-TYROSINE METHYL ESTER · Methyl Tyrosinate · DL-Tyrosine methyl ester · L-Tyr-Ome · TYROSINE-OME · L-Tyrosine methyl · tyrosinemethylester

https://huagongshe.com/de/chemical/70652

Molekülstruktur von Methyl-L-tyrosinat

Identifikatoren & physikalische Daten

CAS No.1080-06-4
SummenformelC10H13NO3
Durchschnittliche Molmasse195,21 g/mol
Monoisotopische Masse195,08954328 g/mol
SMILESCOC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKeyMWZPENIJLUWBSY-VIFPVBQESA-N
PubChem CID70652
ChEMBLCHEMBL300797
ChEBICHEBI:17215
EC No.214-095-3
DTXSIDDTXSID40148354
Lokaler NameMethyl-L-tyrosinat

Chemische & physikalische Eigenschaften

XLogP0,3
Polarare Oberfläche (TPSA)72,6
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen4
Schwere Atome14
Formalladung0
Komplexität188
LogP (Verteilungskoeffizient)0.18
Physical DescriptionSolid
Schmelzpunkt134-136 °C (lit.)
Siedepunkt331.88°C (rough estimate)
Dichte1.1926 (rough estimate)
Brechungsindex1.5150 (estimate)
Lagerbedingungen2-8°C
LöslichkeitChloroform, Ethyl Acetate, MethanolSoluble in water.
pKa (Säurekonstante)pKa 7.04±0.02(H2O t=25.0±0.1 I=0.1(NaCl) N2atmosphere) (Uncertain)9.73±0.03(H2O t=25.0±0.1 I=0.1(NaCl) N2atmosphere) (Uncertain)
AggregatzustandCrystalline Powder or Crystals
FarbeWhite to yellow
BRN2372626
StabilitätStable. Incompatible with strong oxidizing agents.
InChI1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
InChIKeyMWZPENIJLUWBSY-VIFPVBQESA-N
SMILESCOC(=O)[C@@H](N)Cc1ccc(O)cc1
CAS Datenbank1080-06-4(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Wassergefährdungsklasse (WGK)3
Zollcode29225090
GefahrensymboleXi
Sicherheitshinweise (S)22-24/25
GefahrenklasseIRRITANT
Lagerklasse11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

L-Tyrosine-induced antinociception is mediated by central .delta.-opioid receptors and by the bulbo-spinal noradrenergic system.