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Name |
1-Piperazineethanol,4-(methylsulfonyl)- |
EINECS | N/A |
CAS No. | 72388-13-7 | Density | 1.33 g/cm3 |
PSA | 69.23000 | LogP | -0.48750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H16N2O3S | Boiling Point | 357.9 °C at 760 mmHg |
Molecular Weight | 208.282 | Flash Point | 170.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Methylsulfonylpiperazine-1-ethanol;2-[4-(Methylsulfonyl)piperazin-1-yl]ethanol; |
Article Data | 3 |
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