4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
Grundinformationen
- CAS
109806-71-5- Standard-SMILES
OCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1- InChIKey
ZJQSBXXYLQGZBR-UHFFFAOYSA-N- Summenformel
- C19H23ClN2O
- Durchschnittliche Molmasse
- 330,8 g/mol
- Monoisotopische Masse
- 330,1498911
Namen und Bezeichner
- Bevorzugter Name
- 4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
- IUPAC
- 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol
- Englischer Name
- 4-[(4-Chlorophenyl)phenylmethyl]-1-piperazineethanol dihydrochloride
- Summenformel
- C19H23ClN2O
- Molmasse
- 330.85
Namen und Synonyme
109806-71-54-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanolPGV947X9B12-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol1-Piperazineethanol, 4-((4-chlorophenyl)phenylmethyl)-UCB-P0262-(4-((4-Chlorophenyl)phenylmethyl)piperazin-1-yl)ethanol4-[(4-Chlorophenyl)phenylmethyl]-1-piperazineethanolCETIRIZINE DIHYDROCHLORIDE IMPURITY G [EP IMPURITY]1-Piperazineethanol, 4-[(4-chlorophenyl)phenylmethyl]-CETIRIZINE DIHYDROCHLORIDE IMPURITY G (EP IMPURITY)RefChem:509450
Weitere Namen anzeigen
Cetirizine -EP-Imp-GLevocetirizine Impurity GLevocetirizine Impurity 6(R)-2-(4-((4-chlorophenyl)4-Chlorobisphenylmethylphenidate2-[4-{Chlorophenyl}Phenylmethyl]-1-CETIRIZINE EP IMPURITY G (FREE BASE)Cetirizine EP Impurity G HydrochlorideLevocetirizine Hydrochloride Impurity G4-(p-Chloro-α-phenylbenzyl)-1-piperazineethanol
600-928-1Cetirizine ethanol2-[4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl]ethanolCetirizine impurity G2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-olMFCD128704332-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethanol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 26,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 332
Experimentelle und physikochemische Eigenschaften
Collision Cross Section186.2 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Physikochemische Eigenschaften
- Siedepunkt
- 205 · 205-208 °C(Press: 0.1 Torr)
- Dichte
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 14.96 · 14.96±0.10(Predicted)
- Farbe
- White to Off-White
- Stabilität
- Very Hygroscopic
- InChI
- InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2
- InChIKey
- ZJQSBXXYLQGZBR-UHFFFAOYSA-N
- SMILES
- N1(CCO)CCN(C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2)CC1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, 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 Corr. 1 (100%)；Eye Dam. 1 (100%)
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
Verwenden2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethanol is an impurity of (R)-Cetirizine (C281106).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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