4-Benzamido-cyclohexanone supplier

Name
4-Benzoylamino cyclohexanone
EINECS
CAS No. 73204-06-5
Article Data2
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅NO₂
Boiling Point 446.5 °C at 760 mmHg
Molecular Weight 217.268
Flash Point 189.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-BENZAMIDO-CYCLOHEXANONE;4-BENZOYLAMINO CYCLOHEXANONE;4-[(N-BENZOYL)AMINO]CYCLOHEXANONE
PSA 46.17000
LogP 2.31900

4-Benzamido-cyclohexanone Specification

The cas register number of 4-Benzamido-cyclohexanone is 73204-06-5. It also can be called as benzamide, N-(4-oxocyclohexyl)- and the Systematic name about this chemical is N-(4-oxocyclohexyl)benzamide.

Physical properties about 4-Benzamido-cyclohexanone are: (1)ACD/LogP: 0.89 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.89 ; (4)ACD/LogD (pH 7.4): 0.89 ; (5)ACD/BCF (pH 5.5): 2.81; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 72.85; (8)ACD/KOC (pH 7.4): 72.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.17Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 60.98 cm³; (15)Molar Volume: 188.8 cm³; (16)Surface Tension: 45.7 dyne/cm; (17)Density: 1.15 g/cm³; (18)Flash Point: 189.3 °C; (19)Enthalpy of Vaporization: 70.47 kJ/mol; (20)Boiling Point: 446.5 °C at 760 mmHg; (21)Vapour Pressure: 3.62E-08 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(NC1CCC(=O)CC1)c2ccccc2
2.InChI: InChI=1/C13H15NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
3.InChIKey: KZNHGSPGFVCBGC-UHFFFAOYAI
4.Std. InChI: InChI=1S/C13H15NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16).

Product Name

4-Benzoylamino cyclohexanone

4-Benzamido-cyclohexanone Specification

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