Grundinformationen
- Standard-SMILES
Nc1ccccc1CC(=O)O- InChIKey
KHMNCHDUSFCTGK-UHFFFAOYSA-N- Summenformel
- C8H9NO2
- Durchschnittliche Molmasse
- 151,16 g/mol
- Monoisotopische Masse
- 151,06332853
Überblick
2-aminophenylacetic acid is a member of the class of phenylacetic acids that is phenylacetic acid which carries an amino group at position 2 of the phenyl ring. A fungal metabolite produced by Colletotrichum gloeosporioides. It has a role as a fungal metabolite. It is a member of phenylacetic acids and a substituted aniline.
Namen und Bezeichner
- Bevorzugter Name
- 2-Aminophenylacetic acid
- IUPAC
- 2-(2-aminophenyl)acetic acid
- Englischer Name
- 2-AMINOPHENYLACETIC ACID
- Summenformel
- C8H9NO2
- Molmasse
- 151.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3342-78-7- PubChem CID
- 583776
- DTXSID
DTXSID50342684- ChEBI
CHEBI:149652- EC Number
- 621-176-0
- Nikkaji
- J27.581F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 147
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-127 °C(lit.)
- Siedepunkt
- 344.4 · 344.4±17.0 °C(Predicted)
- Dichte
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- storage temp.
- RT, protect from light
- pka
- 4.38 · 4.38±0.10(Predicted)
- Aggregatzustand
- solid
- Stabilität
- Light Sensitive
- InChI
- 1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
- InChIKey
- KHMNCHDUSFCTGK-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1CC(O)=O
- CAS Datenbank
- 3342 · 3342-78-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.4%): 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38-36
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Chemie und Industrie
Anwendungen
Verwenden2-Aminophenylacetic acid is a useful synthetic intermediate.
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