3-(Piperidin-1-yl)benzoic acid
Grundinformationen
- CAS
77940-94-4- Standard-SMILES
O=C(O)c1cccc(N2CCCCC2)c1- InChIKey
FLQRORYAJSTYLT-UHFFFAOYSA-N- Summenformel
- C12H15NO2
- Durchschnittliche Molmasse
- 205,25 g/mol
- Monoisotopische Masse
- 205,11027872
Namen und Bezeichner
- Bevorzugter Name
- 3-(Piperidin-1-yl)benzoic acid
- IUPAC
- 3-piperidin-1-ylbenzoic acid
- Englischer Name
- 3-Piperidinobenzoic acid
- Summenformel
- C12H15NO2
- Molmasse
- 205.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
77940-94-4- PubChem CID
- 2795552
- DTXSID
DTXSID30383772- ChEBI
CHEBI:195075- EC Number
- 630-123-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 224
Physikochemische Eigenschaften
- Schmelzpunkt
- 120 °C · 120 °C
- storage temp.
- Store at Room Tem.
- Aggregatzustand
- powder
- Farbe
- Off-white
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
- hs_code
- 2933399990
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
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