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Ethanone,1-(3,4-dimethoxyphenyl)-2-(methylamino)-

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Name

Ethanone,1-(3,4-dimethoxyphenyl)-2-(methylamino)-

EINECS N/A
CAS No. 29705-77-9 Density 1.076 g/cm3
PSA 47.56000 LogP 1.49680
Solubility N/A Melting Point N/A
Formula C11H15NO3 Boiling Point 332.2 °C at 760 mmHg
Molecular Weight 209.245 Flash Point 154.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 29705-77-9 (N-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]-N-methylamine) Hazard Symbols N/A
Synonyms

N-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]-N-methylamine;3',4'-Dimethoxy-2-(methylamino)acetophenone;Acetophenone,3',4'-dimethoxy-2-(methylamino)- (8CI);

 

Ethanone,1-(3,4-dimethoxyphenyl)-2-(methylamino)- Specification

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%.

Ethanone,1-(3,4-dimethoxyphenyl)-2-(methylamino)- can react with Furan-3-carbonyl chloride to get Furan-3-carboxylic acid [2-(3,4-dimethoxy-phenyl)-2-oxo-ethyl]-methyl-amide

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

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