3,4-Dimethoxyphenylacetamide supplier

Name
3,4-Dimethoxyphenylacetamide
EINECS 227-119-2
CAS No. 5663-56-9
Article Data19
CAS DataBase
Density 1.141 g/cm³
Solubility
Melting Point 170-171℃
Formula C₁₀H₁₃NO₃
Boiling Point 375.5 °C at 760 mmHg
Molecular Weight 195.218
Flash Point 200.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Acetamide,2-(3,4-dimethoxyphenyl)- (6CI,8CI);2-(3,4-Dimethoxyphenyl)acetamide;3,4-Dimethoxyphenylacetamide;NSC 73172;2-(3,4-dimethoxyphenyl)acetamide;benzeneacetamide, 3,4-dimethoxy-;3,4-dimethoxyphenylacetamide;2-(3,4-dimethoxyphenyl)acetamide;
PSA 61.55000
LogP 1.43190

3,4-Dimethoxyphenylacetamide Specification

The 3,4-Dimethoxyphenylacetamide, with the CAS registry number 5663-56-9 and EINECS registry number 227-119-2, has the systematic name of 2-(3,4-dimethoxyphenyl)acetamide. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of this chemical is C₁₀H₁₃NO₃.

The physical properties of 3,4-Dimethoxyphenylacetamide are as following: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.08; (8)ACD/KOC (pH 7.4): 30.08; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 52.72 cm³; (15)Molar Volume: 171 cm³; (16)Polarizability: 20.9×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.141 g/cm³; (19)Flash Point: 200.2 °C; (20)Enthalpy of Vaporization: 62.3 kJ/mol; (21)Boiling Point: 375.5 °C at 760 mmHg; (22)Vapour Pressure: 7.77E-06 mmHg at 25°C.

Uses of 3,4-Dimethoxyphenylacetamide: It can react with formaldehyde to produce 6,7-dimethoxy-isochroman-3-one. This reaction will need reagent H₄P₂O₇. The reaction time is 1 hour with temperature of 60-70°C, and the yield is about 85%.

3,4-Dimethoxyphenylacetamide can react with formaldehyde to produce 6,7-dimethoxy-isochroman-3-one

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)Cc1cc(OC)c(OC)cc1
(2)InChI: InChI=1/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)
(3)InChIKey: CUWOZWFDSYIYHL-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 400mg/kg (400mg/kg)		Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1240, 1971.

Product Name

3,4-Dimethoxyphenylacetamide

3,4-Dimethoxyphenylacetamide Specification

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