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Basic Information
CAS No.: 72388-13-7
Name: 1-(2-HYDROXYETHYL)-4-METHANESULFONYLPIPERAZINE
Article Data: 3
Molecular Structure:
Molecular Structure of 72388-13-7 (1-(2-HYDROXYETHYL)-4-METHANESULFONYLPIPERAZINE)
Formula: C7H16N2O3S
Molecular Weight: 208.282
Synonyms: 4-Methylsulfonylpiperazine-1-ethanol;2-[4-(Methylsulfonyl)piperazin-1-yl]ethanol;
Density: 1.33 g/cm3
Boiling Point: 357.9 °C at 760 mmHg
Flash Point: 170.3 °C
PSA: 69.23000
LogP: -0.48750
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Specification

The 1-Piperazineethanol,4-(methylsulfonyl)-, with the CAS registry number 72388-13-7, is also known as 4-Methylsulfonylpiperazine-1-ethanol. The molecular formula of this chemical is C7H16N2O3S and molecular weight is 208.28. What's more, its systematic name is 2-[4-(Methylsulfonyl)piperazin-1-yl]ethanol.

Physical properties of 1-Piperazineethanol,4-(methylsulfonyl)- are: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.08; (8)ACD/KOC (pH 7.4): 11.9; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.23 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 50.52 cm3; (15)Molar Volume: 156.5 cm3; (16)Polarizability: 20.03×10-24 cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 170.3 °C; (20)Enthalpy of Vaporization: 69.85 kJ/mol; (21)Boiling Point: 357.9 °C at 760 mmHg; (22)Vapour Pressure: 1.46E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N1CCN(CCO)CC1)C
(2)InChI: InChI=1/C7H16N2O3S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h10H,2-7H2,1H3
(3)InChIKey: MJHXGCHBEBSXQK-UHFFFAOYAU