2-[(dimethylamino)methyl]cyclohexan-1-one

The Cyclohexanone,2-[(dimethylamino)methyl]- is an organic compound with the formula C₉H₁₇NO. The IUPAC name of this chemical is 2-(Dimethylaminomethyl)cyclohexan-1-one. With the CAS registry number 15409-60-6, it is also named as 2-(N, N-Dimethylaminomethyl)cyclohexanone. Besides, its molecular weight is 155.23738.

Physical properties about Cyclohexanone,2-[(dimethylamino)methyl]- are: (1)ACD/LogP: 0.50; (2)ACD/LogD (pH 5.5): -2.39; (3)ACD/LogD (pH 7.4): -0.93; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.64; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 45.48 cm³; (13)Molar Volume: 164.2 cm³; (14)Polarizability: 18.03×10^-24 cm³; (15)Surface Tension: 31.8 dyne/cm; (16)Density: 0.944 g/cm³; (17)Flash Point: 70.2 °C; (18)Enthalpy of Vaporization: 45.88 kJ/mol; (19)Boiling Point: 222.3 °C at 760 mmHg; (20)Vapour Pressure: 0.102 mmHg at 25 °C.

Preparation: this chemical can be prepared by Cyclohexanone. This reaction will need reagent HCl. The reaction time is 2 hours with reaction temperature of 90 - 100 °C. The yield is about 57%.

Uses of Cyclohexanone,2-[(dimethylamino)methyl]-: it can be used to produce 5,6,7,8-tetrahydro-spiro[chroman-2,1'-cyclohexan]-2'-one. It will need reagent hydroquinone and solvent toluene with reaction time of 8 hours. This reaction needs heating. The yield is about 57%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8H,3-7H2,1-2H3
(2)InChIKey: QDHLEFBSGUGHCL-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8H,3-7H2,1-2H3
(4)Std. InChIKey: QDHLEFBSGUGHCL-UHFFFAOYSA-N