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1-N-(Methylsulfonyl)-4-piperidinone

1-N-(Methylsulfonyl)-4-piperidinone structure

CAS No:
218780-53-1
Formula:
C6H11NO3S
Chemical Name:
1-N-(Methylsulfonyl)-4-piperidinone
Synonyms:
1-(METHYLSULFONYL)-4-PIPERIDINONE;1-(Methylsulphonyl)-4-piperidinone;1-N-(Methylsulfonyl)-4-piperidinone;1-(Methylsulphonyl)-4-oxopiperidine;1-Methanesulfonylpiperidin-4-one;1-Methylsulfonyl-4-piperidone;4-Piperidinone, 1-(methylsulfonyl)-

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1-N-(Methylsulfonyl)-4-piperidinone Basic Attributes

Molecular Weight：

177.22

Exact Mass：

177.04596439

DSSTox ID：

DTXSID70476995

Characteristics

Density：

1.33±0.1 g/cm3

Melting Point：

102-103 °C

Boiling Point：

320.4±52.0 °C(Predicted)

PKA：

-6.09±0.20

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:177.22
XLogP3:-1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:177.04596439
Monoisotopic Mass:177.04596439
Topological Polar Surface Area:62.8
Heavy Atom Count:11
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-N-(Methylsulfonyl)-4-piperidinone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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