Methyl 4-amino-2-hydroxybenzoate

C8H9NO3CAS 4136-97-4167.16 g/mol

Open in Covalent MOL file
OONH2HO
EsterPhenolPrimary amine

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4136-97-4
SMILES
COC(=O)c1ccc(N)cc1O
InChIKey
QQOXBFUTRLDXDP-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3

Weigh 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-fluorosalicylate392-04-163 % similar Methyl 4-amino-2-chlorobenzoate46004-37-963 % similar Methyl 4-methoxysalicylate5446-02-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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