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118546-61-5

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Basic Information
CAS No.: 118546-61-5
Name: 1-Benzyl-4-methanesulfonyl-piperazine
Article Data: 6
Molecular Structure:
Molecular Structure of 118546-61-5 (1-Benzyl-4-methanesulfonyl-piperazine)
Formula: C12H18N2O2S
Molecular Weight: 254.353
Synonyms: 1-Benzyl-4-[methanesulfonyl]piperazine;1-Benzyl-4-methylsulfonylpiperazine;
Density: 1.25 g/cm3
Melting Point: 158 °C
Boiling Point: 374.5 °C at 760 mmHg
Flash Point: 180.3 °C
Appearance: Gray power
PSA: 49.00000
LogP: 1.72040
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Specification

The Piperazine, 1-(methylsulfonyl)-4-(phenylmethyl)-, with the CAS registry number of 118546-61-5, is also known as 1-Benzyl-4-methanesulfonyl-piperazine. This chemical's molecular formula is C12H18N2O2S and molecular weight is 254.352. What's more, its systematic name is called 1-Benzyl-4-(methylsulfonyl)piperazine.

Physical properties about Piperazine, 1-(methylsulfonyl)-4-(phenylmethyl)- are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 49 Å2; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 69.07 cm3; (9)Molar Volume: 202.7 cm3; (10)Surface Tension: 52.9 dyne/cm; (11)Density: 1.25 g/cm3; (12)Flash Point: 180.3 °C; (13)Enthalpy of Vaporization: 62.19 kJ/mol; (14)Boiling Point: 374.5 °C at 760 mmHg; (15)Vapour Pressure: 8.32E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N2CCN(Cc1ccccc1)CC2)C
(2) InChI: InChI=1/C12H18N2O2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
(3) InChIKey: CKKQEWFEZNDPLJ-UHFFFAOYAO