3-Carbethoxy-2-piperidone
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3-Carbethoxy-2-piperidone
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CAS No:
3731-16-6
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Formula:
C8H13NO3
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Chemical Name:
3-Carbethoxy-2-piperidone
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Synonyms:
3-Piperidinecarboxylic acid,2-oxo-,ethyl ester;Nipecotic acid,2-oxo-,ethyl ester;Ethyl 2-oxonipecotate;3-(Ethoxycarbonyl)-2-piperidone;Ethyl 2-oxo-3-piperidinecarboxylate;3-Carbethoxy-2-piperidone;NSC 38545;2-Oxopiperidine-3-carboxylic acid ethyl ester;Ethyl 2-oxo-piperidine-3-carboxylate;133859-79-7
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CAS No:
Characteristics
55.4
-0.66
1.1±0.1 g/cm3
75 °C
205-215 °C @ Press: 12 Torr
150.9±25.9 °C
1.462
>25.7 [ug/mL]
Safety Information
3
R20/21/22
S22-S24/25
Xn
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:171.19
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:171.08954328
Monoisotopic Mass:171.08954328
Topological Polar Surface Area:55.4
Heavy Atom Count:12
Complexity:191
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes