CAS No.3881-28-5,4-Piperidinone, 1-methyl-3-phenyl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3881-28-5
Name:	4-Piperidinone, 1-methyl-3-phenyl-
Article Data:	6

Formula:	C₁₂H₁₅NO
Molecular Weight:	189.2536
Synonyms:	4-Piperidinone, 1-methyl-3-phenyl-;
Density:	1.062 g/cm³
Melting Point:	28℃
Boiling Point:	318.7 °C at 760 mmHg
Flash Point:	137.2 °C
PSA:	20.31000
LogP:	1.61270

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Specification

The 1-Methyl-3-phenylpiperidin-4-one, with the CAS registry number 3881-28-5, is also known as 4-Piperidinone, 1-methyl-3-phenyl-. This chemical's molecular formula is C₁₂H₁₅NO and molecular weight is 189.2536. What's more, its systematic name is 1-Methyl-3-phenylpiperidin-4-one.

Physical properties about 1-Methyl-3-phenylpiperidin-4-one are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.69; (6)ACD/KOC (pH 5.5): 1.25; (7)ACD/KOC (pH 7.4): 54.71; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 55.9 cm³; (14)Molar Volume: 178.1 cm³; (15)Polarizability: 22.16×10^-24 cm³; (16)Surface Tension: 38.5 dyne/cm; (17)Density: 1.062 g/cm³; (18)Flash Point: 137.2 °C; (19)Enthalpy of Vaporization: 56.03 kJ/mol; (20)Boiling Point: 318.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000354 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCC(=O)C(C1)c2ccccc2
(2) InChI: InChI=1/C12H15NO/c1-13-8-7-12(14)11(9-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
(3) InChIKey: SJMPVSIWZXUUET-UHFFFAOYAR