4-Piperidinone,1-cyclohexyl- supplier

Name
1-CYCLOHEXYL-4-PIPERIDINONE
EINECS
CAS No. 16771-84-9
Article Data3
CAS DataBase
Density 1.041g/cm³
Solubility
Melting Point
Formula C₁₁H₁₉NO
Boiling Point 291.6 °C at 760 mmHg
Molecular Weight 181.278
Flash Point 121.6 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Cyclohexyltetrahydro-4(1H)-pyridinone;4-Piperidone,1-cyclohexyl- (8CI);1-Cyclohexyl-4-piperidinone;1-Cyclohexyl-4-piperidone;
PSA 20.31000
LogP 1.92190

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

Product Name

1-CYCLOHEXYL-4-PIPERIDINONE

4-Piperidinone,1-cyclohexyl- Specification

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