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3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester

3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester structure

CAS No:
13221-89-1
Formula:
C8H13NO3
Chemical Name:
3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester
Synonyms:
3-Piperidinecarboxylic acid,1-methyl-4-oxo-,methyl ester;Nipecotic acid,1-methyl-4-oxo-,methyl ester;1-Methyl-3-carbomethoxy-4-piperidinone;3-Carbomethoxy-N-methyl-4-piperidinone;N-Methyl-3-carbomethoxy-4-piperidinone;1-Methyl-3-methoxycarbonylpiperidin-4-one;1-Methyl-4-oxo-3-piperidinecarboxylic acid methyl ester;Methyl 1-methyl-4-oxo-3-piperidine carboxylate;3-Methoxycarbonyl-1-methyl-4-piperidone;56026-45-0

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3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester Basic Attributes

Molecular Weight：

171.19400

Exact Mass：

171.19

HScode：

2933399090

Characteristics

PSA：

46.61000

XLogP3：

-0.38190

Density：

1.129g/cm3

Melting Point：

186 °C

Boiling Point：

87-88 °C @ Press: 4.5 Torr

Flash Point：

108.2ºC

Safety Information

GHS Classification：

|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.

Drug Information

MeSH Entry Terms：

1-methyl-3-carbomethoxy-piperidone-4

Computed Properties

Molecular Weight:171.19
XLogP3:-0.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:171.08954328
Monoisotopic Mass:171.08954328
Topological Polar Surface Area:46.6
Heavy Atom Count:12
Complexity:203
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

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