The 1-Ethyl-3-methyl-4-piperidone, with the CAS registry number 3612-16-6, is also known as N-Ethyl-3-methyl-4-piperidone. This chemical's molecular formula is C8H15NO and molecular weight is 141.21. What's more, its systematic name is 1-Ethyl-3-methylpiperidin-4-one. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from light.
Physical properties about 1-Ethyl-3-methyl-4-piperidone are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.84; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 40.79 cm3; (15)Molar Volume: 151.5 cm3; (16)Polarizability: 16.17×10-24 cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.931 g/cm3; (19)Flash Point: 76.2 °C; (20)Enthalpy of Vaporization: 44.86 kJ/mol; (21)Boiling Point: 212.3 °C at 760 mmHg; (22)Vapour Pressure: 0.175 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCN(CC)CC1C
(2) InChI: InChI=1/C8H15NO/c1-3-9-5-4-8(10)7(2)6-9/h7H,3-6H2,1-2H3
(3) InChIKey: DZPMPRBBBQMILW-UHFFFAOYAG
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