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CAS No.: | 83502-55-0 |
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Name: | 1-ACETYL-4-(2-HYDROXY-ETHYL)-PIPERAZINE X HCL |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H16N2O2 |
Molecular Weight: | 172.227 |
Synonyms: | 1-Piperazineethanol,4-acetyl- (9CI);1-(4-(2-Hydroxyethyl)piperazin-1-yl)ethanone;2-(4-Acetylpiperazin-1-yl)ethanol; |
Density: | 1.111 g/cm3 |
Boiling Point: | 338.4 °C at 760 mmHg |
Flash Point: | 158.5 °C |
PSA: | 43.78000 |
LogP: | -0.17940 |
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The Ethanone, 1-[4-(2-hydroxyethyl)-1-piperazinyl]-, with the CAS registry number 83502-55-0, is also known as 1-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanone. It belongs to the product categories of Piperidine; Piperaizine. This chemical's molecular formula is C8H16N2O2 and molecular weight is 172.22484. What's more, its systematic name is called 2-(4-Acetylpiperazin-1-yl)ethanol.
Physical properties about Ethanone, 1-[4-(2-hydroxyethyl)-1-piperazinyl]- are: (1) ACD/LogP: -0.65; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.93; (4) ACD/LogD (pH 7.4): -0.65 ; (5)ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 5.56; (8) ACD/KOC (pH 7.4): 10.44; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 32.78 Å2; (13) Index of Refraction: 1.501; (14) Molar Refractivity: 45.64 cm3; (15) Molar Volume: 154.9 cm3; (16) Surface Tension: 42.5 dyne/cm; (17) Density: 1.111 g/cm3; (18) Flash Point: 158.5 °C; (19) Enthalpy of Vaporization: 67.39 kJ/mol; (20) Boiling Point: 338.4 °C at 760 mmHg; (21) Vapour Pressure: 6.66E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1CCN(CCO)CC1)C
(2) InChI: InChI=1/C8H16N2O2/c1-8(12)10-4-2-9(3-5-10)6-7-11/h11H,2-7H2,1H3
(3) InChIKey: MRGOMLFEVPNISR-UHFFFAOYAO