2-Amino-4,5-dimethoxybenzoic acid

C₉H₁₁NO₄CAS 5653-40-7197.19 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₉H₁₁NO₄
Molar mass: 197.19 g/mol
Exact mass: 197.0688 Da
logP: 0.98Crippen estimate
Polar surface area: 81.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5653-40-7

SMILES

COc1cc(N)c(C(=O)O)cc1OC

InChIKey

HJVAVGOPTDJYOJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Benzoic acid, 2-amino-4,5-dimethoxy-
Veratric acid, 6-amino-
4,5-Dimethoxy-2-aminobenzoic acid
4,5-Dimethoxyanthranilic acid
6-Amino-3,4-dimethoxybenzoic acid
2-Carboxy-4,5-dimethoxyaniline
2-Amino-4,5-bis(methyloxy)benzoic acid

Work with 2-Amino-4,5-dimethoxybenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5-Trimethoxybenzoic acid490-64-276 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-471 % similar 2-Hydroxy-4,5-dimethoxybenzoic acid5722-93-069 % similar 4-Amino-2-fluoro-5-methoxybenzoic acid1001346-91-369 % similar 2-Bromo-4,5-dimethoxybenzoic acid6286-46-067 % similar 2,5-Diaminoterephthalic acid945-30-267 % similar 2-Amino-3,4,5-trimethoxybenzoic acid61948-85-466 % similar 5-Methoxyanthranilic acid6705-03-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide24207-41-8 4-Hydroxy-3,5-dimethoxybenzamide3086-72-4 5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoic acid57078-99-6 D-Dopa5796-17-8 DOPA59-92-7 Dl-dopa63-84-3 Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate70254-52-3 4,5-Dimethoxy-2-nitrotoluene7509-11-7

Elsewhere

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