O-Methyl-L-tyrosin

O-METHYL-L-TYROSINE · (S)-2-AMino-3-(4-Methoxyphenyl)propanoic acid · H-TYR(ME)-OH · H-L-Tyr(Me)-OH · 4-OMD · L-Tyr(me) · L-4-METHOXYPHE · L-4-MeO-Phe-OH

https://huagongshe.com/de/chemical/2723935

Identifikatoren & physikalische Daten

CAS No.	6230-11-1
Summenformel	C10H13NO3
Durchschnittliche Molmasse	195,21 g/mol
Monoisotopische Masse	195,08954328 g/mol
SMILES	COc1ccc(C[C@H](N)C(=O)O)cc1
InChIKey	GEYBMYRBIABFTA-VIFPVBQESA-N
PubChem CID	2723935
ChEBI	CHEBI:49336
EC No.	228-333-9
DTXSID	DTXSID301372013
Lokaler Name	O-Methyl-L-tyrosin

Chemische & physikalische Eigenschaften

XLogP	-1,1
Polarare Oberfläche (TPSA)	72,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	4
Schwere Atome	14
Formalladung	0
Komplexität	188
Schmelzpunkt	259-261 °C (dec.)(lit.)
Siedepunkt	331.88°C (rough estimate)
Dichte	1.1926 (rough estimate)
Brechungsindex	1.5150 (estimate)
Lagerbedingungen	2-8°C
Löslichkeit	Aqueous Acid (Slightly, Sonicated)Very soluble in water.
Aggregatzustand	Solid
pKa (Säurekonstante)	2.24±0.10(Predicted)
Farbe	White to Off-White
BRN	2212726
Hauptanwendungen	peptide synthesis
InChI	1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey	GEYBMYRBIABFTA-VIFPVBQESA-N
SMILES	COc1ccc(C[C@H](N)C(O)=O)cc1
CAS Datenbank	6230-11-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29225090
Sicherheitshinweise (S)	22-24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

A non-natural Phenylalanine (P319415) derivative.