3-(4-Methyl-1-piperazinyl)benzoic acid
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3-(4-Methyl-1-piperazinyl)benzoic acid
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CAS No:
215309-01-6
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Formula:
C12H16N2O2
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Chemical Name:
3-(4-Methyl-1-piperazinyl)benzoic acid
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Synonyms:
Benzoic acid,3-(4-methyl-1-piperazinyl)-;3-(4-Methyl-1-piperazinyl)benzoic acid;3-(4-Methylpiperazin-1-yl)benzoic acid
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CAS No:
Characteristics
43.78000
1.13950
1.188g/cm3
220 °C (decomp)
400.2ºC at 760mmHg
195.8ºC
1.579
4.02E-07mmHg at 25°C
Safety Information
R22; R36/37/38
S22-S26-S36/37/39
Xn
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:220.27
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:220.121177757
Monoisotopic Mass:220.121177757
Topological Polar Surface Area:43.8
Heavy Atom Count:16
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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