3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester, hydrochloride (1:1)
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3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester, hydrochloride (1:1)
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CAS No:
3939-01-3
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Formula:
C14H17NO3.ClH
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Chemical Name:
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester, hydrochloride (1:1)
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Synonyms:
3-Piperidinecarboxylic acid,4-oxo-1-(phenylmethyl)-,methyl ester,hydrochloride (1:1);Nipecotic acid,1-benzyl-4-oxo-,methyl ester,hydrochloride;3-Piperidinecarboxylic acid,4-oxo-1-(phenylmethyl)-,methyl ester,hydrochloride;1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride;1-Benzyl-3-(methoxycarbonyl)-4-oxopiperidine monohydrochloride;Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride;1-Benzyl-4-oxopiperidine-3-carboxylic acid methyl ester hydrochloride;1-Benzyl-3-carbomethoxy-4-piperidone hydrochloride
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CAS No:
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester, hydrochloride (1:1) Basic Attributes
283.75
283.097534
223-522-2
2933399090
Characteristics
46.61000
1.99050
White to pink Crystalline Powder
173-174 °C (decomp)
366ºC at 760mmHg
175.2ºC
Safety Information
3
24/25
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester, hydrochloride (1:1) Use and Manufacturing
Intermediate of pentafluridol and trifluoperidine.
Computed Properties
Molecular Weight:283.75
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:283.0975211
Monoisotopic Mass:283.0975211
Topological Polar Surface Area:46.6
Heavy Atom Count:19
Complexity:310
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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