Methyl 4-amino-2-hydroxybenzoate
Properties
- Molecular formula
- C8H9NO3
- Molar mass
- 167.16 g/mol
- Exact mass
- 167.0582 Da
- Melting point
- 108 °C (decomposes)
- Boiling point
- 120 °C
- logP
- 0.76Crippen estimate
- Polar surface area
- 72.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 1
Identifiers
CAS number
4136-97-4SMILES
COC(=O)c1ccc(N)cc1OInChIKey
QQOXBFUTRLDXDP-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzoic acid, 4-amino-2-hydroxy-, methyl ester
- Salicylic acid, 4-amino-, methyl ester
- Methyl p-aminosalicylate
- Methyl 4-aminosalicylate
- p-Aminosalicylic acid methyl ester
- Methyl 2-hydroxy-4-aminobenzoate
- NSC 30263
- NSC 48927
- 4-Amino-2-hydroxybenzoic acid methyl ester
- 4-Aminosalicylic acid methyl ester
- 2-Hydroxy-4-aminobenzoic acid methyl ester
- 3-Hydroxy-4-methoxycarbonylaniline
Work with Methyl 4-amino-2-hydroxybenzoate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Methyl 5-amino-2-hydroxybenzoate42753-75-377 % similar
Methyl 2-hydroxy-p-toluate4670-56-869 % similar
Methyl 2-hydroxy-4-iodobenzoate18179-39-068 % similar
Methyl 2,4-dihydroxybenzoate2150-47-267 % similar
Methyl 4-amino-2-methoxybenzoate27492-84-863 % similar
Methyl 4-fluoro-2-hydroxybenzoate392-04-163 % similar
Methyl 4-methoxysalicylate5446-02-663 % similar
Phenyl 4-aminosalicylate133-11-963 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds