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CAS No.: | 737-47-3 |
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Name: | Cyclohexanone, 2-(a-anilinobenzyl)- |
Article Data: | 66 |
Molecular Structure: | |
Formula: | C19H21NO |
Molecular Weight: | 279.382 |
Synonyms: | 2-[(Phenyl)(phenylamino)methyl]cyclohexanone;Cyclohexanone,2-(α-anilinobenzyl)- (7CI,8CI);2-[Phenyl(phenylamino)methyl]cyclohexanone;Cyclohexanone, 2-(α-anilinobenzyl)-;2-[Phenyl-(phenylamino)methyl]cyclohexan-1-one;NSC 123043; |
Density: | 1.136 g/cm3 |
Melting Point: | 114-115 °C |
Boiling Point: | 440.7 °C at 760 mmHg |
Flash Point: | 154 °C |
PSA: | 29.10000 |
LogP: | 4.67210 |
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The Cyclohexanone, 2-[phenyl(phenylamino)methyl]-, with the CAS registry number 737-47-3, is also known as Cyclohexanone, 2-(α-anilinobenzyl)-. This chemical's molecular formula is C19H21NO and molecular weight is 279.38. What's more, its systematic name is 2-[phenyl(phenylamino)methyl]cyclohexanone.
Physical properties of Cyclohexanone, 2-[phenyl(phenylamino)methyl]- are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 86.15 cm3; (9)Molar Volume: 245.8 cm3; (10)Polarizability: 34.15×10-24cm3; (11)Surface Tension: 51.2 dyne/cm; (12)Density: 1.136 g/cm3; (13)Flash Point: 154 °C; (14)Enthalpy of Vaporization: 69.79 kJ/mol; (15)Boiling Point: 440.7 °C at 760 mmHg; (16)Vapour Pressure: 5.76E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclohexanone, benzaldehyde and aniline at the temperature of 23 °C. This reaction will need reagent DBSA and solvent H2O with the reaction time of 1 hour. It is a reaction of Mannich reaction. The yield is about 97%.
Uses of Cyclohexanone, 2-[phenyl(phenylamino)methyl]-: it can be used to produce 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile at the temperature of 50 °C. It will need reagent piperidine with the reaction time of 24 hours. The yield is about 70%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1C(Nc2ccccc2)c3ccccc3
(2)InChI: InChI=1S/C19H21NO/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,17,19-20H,7-8,13-14H2
(3)InChIKey: ITYLIHBJQIGSFJ-UHFFFAOYSA-N