2-AMINO-3,4,5-TRIMETHOXYBENZOIC ACID

The Benzoic acid, 2-amino-3, 4, 5-trimethoxy-, with the CAS registry number of 61948-85-4, is also known as 3, 4, 5-Trimethoxyanthranilic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Its EINECS registry number is 263-344-2. This chemical's molecular formula is C₁₀H₁₃NO₅ and molecular weight is 227.21. What's more, its IUPAC name is 2-Amino-3, 4, 5-trimethoxybenzoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant.

Physical properties about Benzoic acid, 2-amino-3, 4, 5-trimethoxy- are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.23 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 57.45 cm³; (15)Molar Volume: 176.2 cm³; (16)Polarizability: 22.77×10^-24 cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 178.2 °C; (20)Enthalpy of Vaporization: 65.2 kJ/mol; (21)Boiling Point: 371 °C at 760 mmHg; (22)Vapour Pressure: 3.68E-06 mmHg at 25 °C; (23)Melting Point: 137-141 °C(lit. ).

Uses: it is used to produce other chemicals. For example, it is used to produce 6, 7, 8-Trimethoxy-3H-quinazolin-4-one at microwave irradiation. Other condition of this reaction is reaction time of 40 minutes at 150 °C. The yield is about 77 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause sensitisation by skin contact. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(OC)c(OC)c(OC)c1N
(2) InChI: InChI=1/C10H13NO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,11H2,1-3H3,(H,12,13)
(3) InChIKey: JSHSRQCOCMIIPA-UHFFFAOYAR