Grundinformationen
- CAS
403-90-7- Standard-SMILES
NC(Cc1ccc(O)c(F)c1)C(=O)O- InChIKey
VIIAUOZUUGXERI-UHFFFAOYSA-N- Summenformel
- C9H10FNO3
- Durchschnittliche Molmasse
- 199,18 g/mol
- Monoisotopische Masse
- 199,06447134
Überblick
3-fluorotyrosine is a fluorophenol, a fluoroamino acid, a tyrosine derivative and a non-proteinogenic alpha-amino acid. It is functionally related to a tyrosine.
Namen und Bezeichner
- Bevorzugter Name
- 3-fluoro-DL-tyrosine
- IUPAC
- 2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
- Lokaler Name
- 3-Fluor-DL-tyrosin
- Englischer Name
- 3-Fluoro-DL-tyrosine
- Summenformel
- C9H10FNO3
- Molmasse
- 199.18
Namen und Synonyme
3-Fluoro-DL-tyrosine403-90-73-FluorotyrosinePardinonFluorthyrinDL-m-FluorotyrosineDL-3-Fluorotyrosine084C55865HCHEBI:32771DTXSID208619183-fluoro-tyrosinemeta-fluorotyrosine
Weitere Namen anzeigen
ba2745NSC 83231H-DL-Tyr(3-F)-OHDL-3-FluorotyrosinTyrosine, 3-fluoro-
RefChem:93979DTXCID60223031206-964-02-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acidm-Fluoro-DL-tyrosinem-Ftyr3-FluortyrosinMFCD00063075
Datenbank-Bezeichner
- CAS
403-90-7- PubChem CID
- 92100
- DTXSID
DTXSID20861918- ChEBI
CHEBI:32771- UNII
- 084C55865H
- EC Number
- 206-964-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,3
- Polarare Oberfläche (TPSA)
- 83,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 212
Physikochemische Eigenschaften
- Schmelzpunkt
- 280 °C · 280 °C (dec.) (lit.)
- Siedepunkt
- 362.4 · 362.4±42.0 °C(Predicted)
- Dichte
- 1.2523 · 1.2523 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 2.21 · 2.21±0.20(Predicted)
- Aggregatzustand
- powder
- Farbe
- white
- Wasserlöslichkeit
- Soluble in water (28 g/L).
- BRN
- 3204804 · 3204804
- Stabilität
- Stable. Incompatible with strong reducing agents, strong oxidizing agents.
- InChI
- 1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)
- InChIKey
- VIIAUOZUUGXERI-UHFFFAOYSA-N
- SMILES
- NC(Cc1ccc(O)c(F)c1)C(O)=O
- CAS Datenbank
- 403 · 403-90-7(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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2922500090
- RTECS-Nr.
- YP2660000
- risk_code
- 20/21/22
- hazard_code
- Xn,T
- hazard_note
- Toxic
- safety_code
- 36
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here.
Anwendungen
Verwenden3-Fluoro-DL-tyrosine is used for tyrosine in the biosynthesis of proteins such as β-galactosidases (Escherichia coli), bacteriorhodopsin and intestinal microvillar enzymes, aminopeptidase N, to study the effect of halogenated tryosines on the proteins properties.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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