CAS No.218780-53-1,1-N-(Methylsulfonyl)-4-piperidinone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	218780-53-1
Name:	1-N-(Methylsulfonyl)-4-piperidinone
Article Data:	20

Formula:	C₆H₁₁NO₃S
Molecular Weight:	177.224
Synonyms:	1-(Methylsulfonyl)-4-piperidone, 97%;1-Methylsulfonyl-4-piperidone;
Density:	1.332 g/cm³
Melting Point:	102-103 °C
Boiling Point:	320.414 °C at 760 mmHg
Flash Point:	147.581 °C
PSA:	62.83000
LogP:	0.62960

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Specification

The 1-N-(Methylsulfonyl)-4-piperidinone with the cas number 218780-53-1 is also called 1-Methylsulfonyl-4-piperidone. The systematic name is 1-(methylsulfonyl)piperidin-4-one. Its molecular formula is C₆H₁₁NO₃S. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 8; (6)ACD/KOC (pH 7.4): 8; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 62.83Å²; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 40.596 cm³; (13)Molar Volume: 133.06 cm³; (14)Polarizability: 16.093×10^-24cm³; (15)Surface Tension: 48.899 dyne/cm; (16)Enthalpy of Vaporization: 56.208 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCN(CC1)S(=O)(C)=O
(2)InChI: InChI=1/C6H11NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H2,1H3
(3)InChIKey: RTBFRGCFXZNCOE-UHFFFAOYAG