Grundinformationen
- Standard-SMILES
NCCc1c[nH]c2cc(F)ccc12- InChIKey
BQTOKMYKZPCPRW-UHFFFAOYSA-N- Summenformel
- C10H11FN2
- Durchschnittliche Molmasse
- 178,21 g/mol
- Monoisotopische Masse
- 178,09062657
Namen und Bezeichner
- Bevorzugter Name
- 2-(6-fluoro-1H-indol-3-yl)ethanamine
- IUPAC
- 2-(6-fluoro-1H-indol-3-yl)ethanamine
- Englischer Name
- 6-FLUOROTRYPTAMINE
- Summenformel
- C10H11FN2
- Molmasse
- 178.21
Namen und Synonyme
2-(6-fluoro-1H-indol-3-yl)ethanamineRefChem:459211688-385-76-Fluorotryptamine575-85-92-(6-fluoro-1H-indol-3-yl)ethan-1-amineCHEMBL3811603-(2-aminoethyl)-6-fluoroindoleMFCD000447612-(6-fluoroindol-3-yl)ethylaminePAL-2272-(6-Fluoro-1H-indol-3-yl)ethylamine
Weitere Namen anzeigen
AURORA KA-7691RARECHEM AN KA 04216-Fluorotryptamine >=99%6-FLUOROTRYPTAMINE FREE BASE6-FLUOROTRYPTAMINE USP/EP/BP6-Fluoro-1H-indole-3-ethanamine1H-Indole-3-ethanamine, 6-fluoro-
6-Fluoro-1H-indole-3-ethanamine; 2-(6-Fluoro-1H-indol-3-yl)-ethylamine; 2-(6-Fluoro-1H-indol-3-yl)ethanamine3-(2-aminoethyl)-6-fluoro-1h-indole6-Fluorotryptamine, >=99%6-Fluorotryptamine, free baseSCHEMBL743153SCHEMBL11333102SCHEMBL30952647DTXSID60357527
Datenbank-Bezeichner
- CAS
575-85-9- PubChem CID
- 854024
- DTXSID
DTXSID60357527- ChEMBL
CHEMBL381160- EC Number
- 688-385-7
- Nikkaji
- J264.877F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 41,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 174
Physikochemische Eigenschaften
- Schmelzpunkt
- 81 · 81-83°C
- Siedepunkt
- 346 · 346.0±27.0 °C(Predicted)
- Dichte
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 16.6 · 16.60±0.30(Predicted)
- Farbe
- Pale Yellow to Light Beige
- CAS Datenbank
- 575 · 575-85-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi,Xn
- hazard_note
- Irritant/Light Sensitive/Store below -15C
- safety_code
- 26-36
Chemie und Industrie
Anwendungen
Verwenden6-Fluorotryptamine is one of the arylalkylamines to undergo N-acetylation by homogenates of rat and sheep pineal glands.
Anbieter30 Anbieter
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