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CAS No.: | 29705-77-9 |
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Name: | N-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]-N-methylamine |
Molecular Structure: | |
Formula: | C11H15NO3 |
Molecular Weight: | 209.245 |
Synonyms: | N-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]-N-methylamine;3',4'-Dimethoxy-2-(methylamino)acetophenone;Acetophenone,3',4'-dimethoxy-2-(methylamino)- (8CI); |
Density: | 1.076 g/cm3 |
Boiling Point: | 332.2 °C at 760 mmHg |
Flash Point: | 154.7 °C |
PSA: | 47.56000 |
LogP: | 1.49680 |
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The Ethanone,1-(3,4-dimethoxyphenyl)-2-(methylamino)-, with the CAS registry number 29705-77-9, is also known as 3',4'-Dimethoxy-2-(methylamino)acetophenone. It belongs to the product category of Benzene Series. This chemical's molecular formula is C11H15NO3 and molecular weight is 209.2417. What's more, its IUPAC name and systematic name are the same which is called 1-(3,4-Dimethoxyphenyl)-2-(methylamino)ethanone. Additionally, it should be preserved hermetically and put in a cool, dry place.
Physical properties about Ethanone,1-(3,4-dimethoxyphenyl)-2-(methylamino)-: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.74; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 38.68; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 47.56 Å2; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 57.86 cm3; (14)Molar Volume: 194.2 cm3; (15)Surface Tension: 35.2 dyne/cm; (16)Density: 1.076 g/cm3; (17)Flash Point: 154.7 °C; (18)Enthalpy of Vaporization: 57.5 kJ/mol; (19)Boiling Point: 332.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000148 mmHg at 25 °C.
Uses of Ethanone,1-(3,4-dimethoxyphenyl)-2-(methylamino)-: it is used to produce other chemicals. For example, it can react with Furan-3-carbonyl chloride to get Furan-3-carboxylic acid [2-(3,4-dimethoxy-phenyl)-2-oxo-ethyl]-methyl-amide. The reaction occurs with reagents Et3N and CH2Cl2 at temperature of -10°C for 1 hour. The yield is 94%.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1OC)C(=O)CNC
(2) InChI: InChI=1/C11H15NO3/c1-12-7-9(13)8-4-5-10(14-2)11(6-8)15-3/h4-6,12H,7H2,1-3H3
(3) InChIKey: CKCVYNURNIMPNJ-UHFFFAOYAW