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4-Piperidinone,1-cyclohexyl-

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Name

4-Piperidinone,1-cyclohexyl-

EINECS N/A
CAS No. 16771-84-9 Density 1.041g/cm3
PSA 20.31000 LogP 1.92190
Solubility N/A Melting Point N/A
Formula C11H19NO Boiling Point 291.6 °C at 760 mmHg
Molecular Weight 181.278 Flash Point 121.6 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 37/38-41
Molecular Structure Molecular Structure of 16771-84-9 (1-CYCLOHEXYL-4-PIPERIDINONE) Hazard Symbols Xi
Synonyms

1-Cyclohexyltetrahydro-4(1H)-pyridinone;4-Piperidone,1-cyclohexyl- (8CI);1-Cyclohexyl-4-piperidinone;1-Cyclohexyl-4-piperidone;

Article Data 3

4-Piperidinone,1-cyclohexyl- Specification

The 4-Piperidinone,1-cyclohexyl-, with CAS registry number 16771-84-9, has the systematic name of 1-cyclohexylpiperidin-4-one. Besides this, it is also called 1-Cyclohexyl-4-piperidinone. And the chemical formula of this chemical is C11H19NO.

Physical properties of 4-Piperidinone,1-cyclohexyl-: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.69; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 29.15; (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: 1.514; (13)Molar Refractivity: 52.46 cm3; (14)Molar Volume: 174.1 cm3; (15)Polarizability: 20.8×10-24cm3; (16)Surface Tension: 41.1 dyne/cm; (17)Density: 1.041 g/cm3; (18)Flash Point: 121.6 °C; (19)Enthalpy of Vaporization: 53.1 kJ/mol; (20)Boiling Point: 291.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCN(CC1)C2CCCCC2
(2)InChI: InChI=1/C11H19NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h10H,1-9H2
(3)InChIKey: QQYHUQVNANUTNM-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H19NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h10H,1-9H2
(5)Std. InChIKey: QQYHUQVNANUTNM-UHFFFAOYSA-N

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