3,4-DIMETHOXYBENZAMIDE

The Benzamide,3,4-dimethoxy-, with the CAS registry number 1521-41-1, is also known as Veratramide. It belongs to the product categories of Aromatic Carboxylic Acids; Amides; Anilides; Anhydrides & Salts. Its EINECS registry number is 216-190-5. This chemical's molecular formula is C₉H₁₁NO₃ and molecular weight is 181.19. What's more, both its IUPAC name and systematic name are the same which is called 3,4-Dimethoxybenzamide.

Physical properties about Benzamide,3,4-dimethoxy- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.52; (6)ACD/BCF (pH 7.4): 2.52; (7)ACD/KOC (pH 5.5): 67.39; (8)ACD/KOC (pH 7.4): 67.39; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 48.54 cm³; (15)Molar Volume: 156.1 cm³; (16)Surface Tension: 40.9 dyne/cm; (17)Density: 1.16 g/cm³; (18)Flash Point: 126.1 °C; (19)Enthalpy of Vaporization: 51.7 kJ/mol; (20)Boiling Point: 278.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00428 mmHg at 25 °C.

Preparation of Benzamide,3,4-dimethoxy-: this chemical can be prepared by 3,4-Dimethoxy-benzoic acid. This reaction needs reagents NbCl₅, ammonia and solvent CH₂Cl₂ at temperature of 45-50 °C. The reaction time is 3 hours. The yield is 74 %.

Uses of Benzamide,3,4-dimethoxy-: it is used to produce other chemicals. For example, it can react with Methanol to get (3,4-Dimethoxy-phenyl)-carbamic acid methyl ester. The reaction occurs with reagents NBS, DBU and other condition of heating for 25 min. The yield is 89 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(OC)c(OC)cc1)N
(2) InChI: InChI=1S/C9H11NO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H2,10,11)
(3) InChIKey: XNDZRGTVUVVHQT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 800mg/kg (800mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 10, 1953.