The Ethanol, 2-[(3-aminopropyl)methylamino]-, with the CAS registry number of 41999-70-6, is also known as 2-[(3-aminopropyl)methylamino]ethan-1-ol. It belongs to the product category of Aminetertiary. Its EINECS registry number is 255-615-9. This chemical's molecular formula is C6H16N2O and molecular weight is 132.20404. What's more, its IUPAC name is 2-[3-Aminopropyl(methyl)amino]ethanol. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties about Ethanol, 2-[(3-aminopropyl)methylamino]- are: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 49.49 Å2; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 38.638 cm3; (13)Molar Volume: 136.013 cm3; (14)Surface Tension: 40.122 dyne/cm; (15)Density: 0.972 g/cm3; (16)Flash Point: 92.023 °C; (17)Enthalpy of Vaporization: 54.076 kJ/mol; (18)Boiling Point: 228.548 °C at 760 mmHg; (19)Vapour Pressure: 0.014 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCN(CCCN)C
(2) InChI: InChI=1/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3
(3) InChIKey: UOQYWMZLTNEIFI-UHFFFAOYAO
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