Grundinformationen
- Standard-SMILES
OCC1CNc2ccccc2C1- InChIKey
PWWRXANDKQBKRW-UHFFFAOYSA-N- Summenformel
- C10H13NO
- Durchschnittliche Molmasse
- 163,22 g/mol
- Monoisotopische Masse
- 163,09971404
Namen und Bezeichner
- Bevorzugter Name
- (1,2,3,4-Tetrahydroquinolin-3-yl)methanol
- IUPAC
- 1,2,3,4-tetrahydroquinolin-3-ylmethanol
Namen und Synonyme
79180-47-5(1,2,3,4-tetrahydroquinolin-3-yl)methanolRefChem:391221856-119-01,2,3,4-tetrahydroquinolin-3-ylmethanolSCHEMBL2036744SCHEMBL5552021PWWRXANDKQBKRW-UHFFFAOYSA-NAKOS005067606DA-30368EN300-50494(1,2,3,4-Tetrahydro-quinolin-3-yl)-methanol
Weitere Namen anzeigen
AB01005461-013(r/s)-(hydroxymethyl)-1,2,3,4-tetrahydro-quinoline3(R/S)-(hydroxymethyl)- 1,2,3,4-tetrahydro-quinolineZ359510194
Datenbank-Bezeichner
- CAS
79180-47-5- PubChem CID
- 12662987
- EC Number
- 856-119-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 149
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, P319, P321, P330, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
4
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