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| CAS No.: | 15409-60-6 |
|---|---|
| Name: | 2-(dimethylaminomethyl)cyclohexan-1-one |
| Molecular Structure: | |
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| Formula: | C9H17NO |
| Molecular Weight: | 155.24 |
| Synonyms: | 2-(N,N-Dimethylaminomethyl)cyclohexanone;2-[(Dimethylamino)methyl]cyclohexanone;NSC 222825; |
| EINECS: | 239-422-7 |
| Density: | 0.944 g/cm3 |
| Melting Point: | 148-150 °C |
| Boiling Point: | 222.3 °C at 760 mmHg |
| Flash Point: | 70.2 °C |
| Solubility: | N/A |
| Appearance: | colorless transparent liquid |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 20.31000 |
| LogP: | 1.30730 |
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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%.
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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%.
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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
