1-Methyl-3-piperidinone - CAS 5519-50-6

Catalog:	BB028940
Product Name:	1-Methyl-3-piperidinone
CAS:	5519-50-6
Synonyms:	1-methyl-3-piperidinone; 1-methylpiperidin-3-one

Technical Data

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Computed Properties

IUPAC Name:	1-methylpiperidin-3-one
Description:	1-Methyl-3-piperidinone (CAS# 5519-50-6) is a useful research chemical.
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	CN1CCCC(=O)C1
InChI:	InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-5H2,1H3
InChI Key:	SIKTVUHUQZNEPY-UHFFFAOYSA-N
Boiling Point:	165.1 °C at 760 mmHg
Density:	0.992 g/cm³
MDL:	MFCD07374379
LogP:	0.21900

Publication Number	Title	Priority Date
JP-2021046434-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054833-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054834-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
WO-2021119114-A1	Acryloyl based polymers with active end cap as corrosion inhibitors	20191209
WO-2021081272-A1	Progranulin modulators and methods of using the same	20191025

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Related Functional Groups

Piperidones

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2