4-fluoro-L-phenylalanine
Grundinformationen
- CAS
1132-68-9- Standard-SMILES
N[C@@H](Cc1ccc(F)cc1)C(=O)O- InChIKey
XWHHYOYVRVGJJY-QMMMGPOBSA-N- Summenformel
- C9H10FNO2
- Durchschnittliche Molmasse
- 183,18 g/mol
- Monoisotopische Masse
- 183,06955672
Namen und Bezeichner
- Bevorzugter Name
- 4-fluoro-L-phenylalanine
- IUPAC
- (2S)-2-amino-3-(4-fluorophenyl)propanoic acid
- Englischer Name
- L-4-Fluorophenylalanine
- Summenformel
- C9H10FNO2
- Molmasse
- 183.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1132-68-9、60-17-3- PubChem CID
- 716312
- DTXSID
DTXSID201017098- ChEMBL
CHEMBL1235242- ChEBI
CHEBI:44909- UNII
- E2K2VDK6KK
- EC Number
- 200-459-9、601-248-8
- Nikkaji
- J863J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,9
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 178
Physikochemische Eigenschaften
- Schmelzpunkt
- 255 °C · ~255 °C (dec.)
- Siedepunkt
- 313.3 · 313.3±32.0 °C(Predicted)
- Dichte
- 1.1939 · 1.1939 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 2.2 · 2.20±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 0.5 M · Soluble in water and 0.5M HCl (50 mg/ml).
- BRN
- 2416148 · 2416148
- InChI
- InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
- InChIKey
- XWHHYOYVRVGJJY-QMMMGPOBSA-N
- SMILES
- C(O)(=O)[C@H](CC1=CC=C(F)C=C1)N
- CAS Datenbank
- 1132 · 1132-68-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 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
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29224999
- RTECS-Nr.
- DW1765000
- hazard_note
- Harmful
- safety_code
- 23-24/25
Chemie und Industrie
Anwendungen
Verwenden4-Fluoro-L-phenylalanine is a substrate for tyrosine hydroxylase (TH) that has been used to study the regulation of that enzyme.
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Ergänzende Hinweise
DefinitionChEBI: A L-phenylalanine derivative that is L-phenylalanine in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.
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