chempirical

2-Amino-3,4,5-trimethoxybenzoic acid

C10H13NO5CAS 61948-85-4227.22 g/mol

Open in Covalent MOL file
OOOHNH2OO
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C10H13NO5
Molar mass
227.22 g/mol
Exact mass
227.0794 Da
Melting point
136–137 °C
logP
0.99Crippen estimate
Polar surface area
91.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Identifiers

CAS number
61948-85-4
SMILES
COc1cc(C(=O)O)c(N)c(OC)c1OC
InChIKey
JSHSRQCOCMIIPA-UHFFFAOYSA-N
InChI
InChI=1S/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)

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 2-amino-3,4,5-trimethoxy-
  • 3,4,5-Trimethoxyanthranilic acid
  • NSC 81441

Work with 2-Amino-3,4,5-trimethoxybenzoic 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-Amino-4,5-dimethoxybenzoic acid5653-40-766 % similar Methyl 2-amino-3,4,5-trimethoxybenzoate5035-82-564 % similar 2,4,5-Trimethoxybenzoic acid490-64-258 % similar 2,3,4-Trimethoxybenzoic acid573-11-558 % similar 2-Amino-3-methoxybenzoic acid3177-80-857 % similar Eudesmic acid118-41-257 % similar 4-Amino-2-fluoro-5-methoxybenzoic acid1001346-91-355 % similar 4-Amino-2-methoxybenzoic acid2486-80-854 % similar

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

Same formula

Cyclopentyl 2,5-dioxo-1-pyrrolidinyl carbonate128595-07-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook