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CAS No.: | 23936-04-1 |
---|---|
Name: | 4-(2-Hydroxyethyl)-piperazin-2-one |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H12N2O2 |
Molecular Weight: | 144.173 |
Synonyms: | 4-(2-Hydroxyethyl)piperazin-2-one; |
Density: | 1.152 g/cm3 |
Melting Point: | 59.5-60 °C(Solv: acetone (67-64-1)) |
Boiling Point: | 374.8 °C at 760 mmHg |
Flash Point: | 180.5 °C |
PSA: | 52.57000 |
LogP: | -1.32280 |
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The CAS registry number of 4-(2-Hydroxyethyl)-piperazin-2-one is 23936-04-1. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C6H12N2O2 and molecular weight is 144.17. What's more, both its IUPAC name and systematic name are the same which is called 4-(2-Hydroxyethyl)piperazin-2-one.
Physical properties about 4-(2-Hydroxyethyl)-piperazin-2-one are: (1)ACD/LogP: -1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -1.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.62; (8)ACD/KOC (pH 7.4): 2.21; (9)#H bond acceptors: 4 ; (10) #H bond donors: 2 ; (11)#Freely Rotating Bonds: 3; (12) Polar Surface Area: 32.78 ?2 ; (13)Index of Refraction: 1.492; (14) Molar Refractivity: 36.35 cm3; (15)Molar Volume: 125.1 cm3; (16)Surface Tension: 41.4 dyne/cm; (17)Density: 1.152 g/cm3; (18)Flash Point: 180.5 °C; (19)Enthalpy of Vaporization: 71.99 kJ/mol; (20)Boiling Point: 374.8 °C at 760 mmHg; (21)Vapour Pressure: 3.76E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NCCN(CCO)C1
(2) InChI: InChI=1/C6H12N2O2/c9-4-3-8-2-1-7-6(10)5-8/h9H,1-5H2,(H,7,10)
(3) InChIKey: DPUICVIJDAOKBK-UHFFFAOYAX