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5035-82-5

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Basic Information
CAS No.: 5035-82-5
Name: Methyl 2-amino-3,4,5-trimethoxybenzoate
Article Data: 14
Molecular Structure:
Molecular Structure of 5035-82-5 (Methyl 2-amino-3,4,5-trimethoxybenzoate)
Formula: C11H15NO5
Molecular Weight: 241.244
Synonyms: Anthranilicacid, 3,4,5-trimethoxy-, methyl ester (6CI,7CI,8CI);Methyl2-amino-3,4,5-trimethoxybenzoate;Methyl 3,4,5-trimethoxyanthranilate;NSC80816;
EINECS: 225-728-8
Density: 1.196 g/cm3
Melting Point: 44-45 ºC
Boiling Point: 382.1 ºC at 760 mmHg
Flash Point: 113 ºC
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 80.01000
LogP: 1.66240
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Specification

The IUPAC name of Methyl 2-amino-3,4,5-trimethoxybenzoate is Methyl 2-amino-3,4,5-trimethoxybenzoate. With the CAS registry number 5035-82-5, it is also named as Benzoic acid,2-amino-3,4,5-trimethoxy-, methyl ester. The product's categories are Aromatic Esters, C10 to C11, Carbonyl Compounds and Esters. In addition, its molecular formula is C11H15NO5 and molecular weight is 241.24.

The other characteristics of this product can be summarized as: (1)EINECS: 225-728-8; (2)ACD/LogP: 1.70; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.7; (5)ACD/LogD (pH 7.4): 1.7; (6)ACD/BCF (pH 5.5): 11.43; (7)ACD/BCF (pH 7.4): 11.44; (8)ACD/KOC (pH 5.5): 199.07; (9)ACD/KOC (pH 7.4): 199.2; (10)H bond acceptors: 6; (11)H bond donors: 2; (12)Freely Rotating Bonds: 6; (13)Polar Surface Area: 57.23 Å2; (14)Index of Refraction: 1.53; (15)Molar Refractivity: 62.29 cm3; (16)Molar Volume: 201.6 cm3; (17)Polarizability: 24.69×10-24cm3; (18)Surface Tension: 40.2 dyne/cm; (19)Density: 1.196 g/cm3; (20)Flash Point: 165.8 °C; (21)Melting point: 44-45 °C; (22)Enthalpy of Vaporization: 63.04 kJ/mol; (23)Boiling Point: 382.1 °C at 760 mmHg; (24)Vapour Pressure: 4.84E-06 mmHg at 25 °C.

Uses of Methyl 2-amino-3,4,5-trimethoxybenzoate: it can react with 2-Nitro-benzoyl chloride to get N-(o-Nitrobenzoyl-3,4,5-trimethoxy)anthranilic acid methyl ester.



This reaction needs CHCl3. The reaction time is 1.5 hours. The yield is 82 %.

When you are using this chemical, please be cautious about it as the following: Methyl 2-amino-3,4,5-trimethoxybenzoate is irritating to eyes, respiratory system and skin. Please wear suitable gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC)c1cc(OC)c(OC)c(OC)c1N
(2)InChI:InChI=1/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3
(3)InChIKey:UPVUQELOASQBMY-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3
(5)Std. InChIKey:UPVUQELOASQBMY-UHFFFAOYSA-N