3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
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3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
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CAS No:
1454-53-1
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Formula:
C15H19NO3.ClH
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Chemical Name:
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
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Synonyms:
3-Piperidinecarboxylic acid,4-oxo-1-(phenylmethyl)-,ethyl ester,hydrochloride (1:1);Nipecotic acid,1-benzyl-4-oxo-,ethyl ester,hydrochloride;3-Piperidinecarboxylic acid,4-oxo-1-(phenylmethyl)-,ethyl ester,hydrochloride;1-Benzyl-3-(ethoxycarbonyl)-4-piperidone hydrochloride;N-Benzyl-3-carbethoxy-4-piperidone hydrochloride;Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride;NSC 15156;1-Benzyl-4-oxopiperidine-3-carboxylic acid ethyl ester hydrochloride;1-Benzyl-3-carbethoxy-4-piperidone hydrochloride;156633-62-4
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CAS No:
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1) Basic Attributes
297.78
297.113159
3918980
215-929-9
15156
29339900
Characteristics
46.6
2.38060
Pink to cream Powder
175 °C (decomp) @ Solvent: Ethanol
379.7ºC at 760mmHg
183.4ºC
Store in a cool, dry place. Store in a tightly closed container.
5.74E-06mmHg at 25°C
Safety Information
36/37/38
37/39-26-36
Xi
Irritant
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1) Use and Manufacturing
Haloperidine intermediate.
Computed Properties
Molecular Weight:297.78
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:297.1131712
Monoisotopic Mass:297.1131712
Topological Polar Surface Area:46.6
Heavy Atom Count:20
Complexity:323
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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