CAS No.129164-39-2,3-Methyl-1-(2-phenyl)ethyl-4-piperidinone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	129164-39-2
Name:	3-Methyl-1-(2-phenyl)ethyl-4-piperidinone

Formula:	C₁₄H₁₉NO
Molecular Weight:	217.3068
Synonyms:	4-Piperidinone, 3-methyl-1-(2-phenylethyl)-;
Density:	1.023 g/cm³
Boiling Point:	338.1 °C at 760 mmHg
Flash Point:	148.2 °C
Solubility:	Insoluble in water.
PSA:	20.31000
LogP:	2.07790

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Specification

The 3-Methyl-1-(2-phenyl)ethyl-4-piperidinone, with the CAS registry number 129164-39-2, is also known as 4-Piperidinone, 3-methyl-1-(2-phenylethyl)-. This chemical's molecular formula is C₁₄H₁₉NO and molecular weight is 217.3068. What's more, its systematic name is called 3-Methyl-1-(2-phenylethyl)piperidin-4-one.

Physical properties about 3-Methyl-1-(2-phenyl)ethyl-4-piperidinone are: (1)ACD/LogP: 2.09; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.15; (7)ACD/KOC (pH 5.5): 1.17; (8)ACD/KOC (pH 7.4): 59.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 65.27 cm³; (15)Molar Volume: 212.2 cm³; (16)Polarizability: 25.87×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.023 g/cm³; (19)Flash Point: 148.2 °C; (20)Enthalpy of Vaporization: 58.14 kJ/mol; (21)Boiling Point: 338.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000101 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CCN(CCc1ccccc1)CC2C
(2) InChI: InChI=1/C14H19NO/c1-12-11-15(10-8-14(12)16)9-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
(3) InChIKey: FYNKVRCSKRJSSF-UHFFFAOYAS