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| CAS No.: | 73204-06-5 |
|---|---|
| Name: | 4-Benzoylamino cyclohexanone |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C13H15NO2 |
| Molecular Weight: | 217.268 |
| Synonyms: | 4-BENZAMIDO-CYCLOHEXANONE;4-BENZOYLAMINO CYCLOHEXANONE;4-[(N-BENZOYL)AMINO]CYCLOHEXANONE |
| Density: | 1.15 g/cm3 |
| Boiling Point: | 446.5 °C at 760 mmHg |
| Flash Point: | 189.3 °C |
| PSA: | 46.17000 |
| LogP: | 2.31900 |
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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).