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The Ethanone,1-[4-(2-aminoethyl)-1-piperazinyl]-, with the CAS registry number 148716-35-2, is also known as 2-(4-Acetylpiperazin-1-yl)ethanamine. It belongs to the product categories of Acetylgroup; Piperidine; API intermediates. This chemical's molecular formula is C8H17N3O and molecular weight is 171.24. What's more, its systematic name is 1-[4-(2-aminoethyl)piperazin-1-yl]ethanone.
Physical properties of Ethanone,1-[4-(2-aminoethyl)-1-piperazinyl]- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 49.57 Å2; (10)Index of Refraction: 1.503; (11)Molar Refractivity: 47.64 cm3; (12)Molar Volume: 161 cm3; (13)Polarizability: 18.88×10-24cm3; (14)Surface Tension: 41.3 dyne/cm; (15)Density: 1.063 g/cm3; (16)Flash Point: 144.9 °C; (17)Enthalpy of Vaporization: 55.72 kJ/mol; (18)Boiling Point: 316 °C at 760 mmHg; (19)Vapour Pressure: 0.000423 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)N1CCN(CC1)CCN
(2)InChI: InChI=1S/C8H17N3O/c1-8(12)11-6-4-10(3-2-9)5-7-11/h2-7,9H2,1H3
(3)InChIKey: IEXLKUJTTDIYQW-UHFFFAOYSA-N