2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol
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2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol
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CAS No:
109806-71-5
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Formula:
C19H23ClN2O
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Chemical Name:
2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol
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Synonyms:
1-Piperazineethanol,4-[(4-chlorophenyl)phenylmethyl]-;1-Piperazineethanol,4-(p-chloro-α-phenylbenzyl)-;4-[(4-Chlorophenyl)phenylmethyl]-1-piperazineethanol;2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol
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CAS No:
2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol Basic Attributes
403.77
330.85
600-928-1
2933599090
Characteristics
26.71000
2.73
1.191±0.06 g/cm3(Predicted)
205-208 °C @ Press: 0.1 Torr
232.7±27.3 °C
1.599
186.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol Use and Manufacturing
2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethanol is an impurity of (R)-Cetirizine (C281106).
Computed Properties
Molecular Weight:330.8
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:330.1498911
Monoisotopic Mass:330.1498911
Topological Polar Surface Area:26.7
Heavy Atom Count:23
Complexity:332
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol
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