Methyl 4-aminobenzoate

C8H9NO2CAS 619-45-4151.17 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.17 g/mol
Exact mass
151.0633 Da
Melting point
110–111 °C
logP
1.06Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
619-45-4
SMILES
COC(=O)c1ccc(N)cc1
InChIKey
LZXXNPOYQCLXRS-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3

Weigh it out

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Names and synonyms

14 names · show all
  • Benzoic acid, 4-amino-, methyl ester
  • Benzoic acid, p-amino-, methyl ester
  • Methyl p-aminobenzoate
  • 4-Aminobenzoic acid methyl ester
  • p-Aminobenzoic acid methyl ester
  • p-Carbomethoxyaniline
  • 4-(Methoxycarbonyl)aniline
  • Methyl aniline-4-carboxylate
  • p-(Methoxycarbonyl)aniline
  • 4-(Carbomethoxy)aniline
  • Methyl 4-aminophenylcarboxylate
  • (4-(Methoxycarbonyl)phenyl)amine
  • NSC 3783
  • 4-Aminobenzenecarboxylic acid methyl ester

Work with Methyl 4-aminobenzoate

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

Dimethyl terephthalate120-61-675 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-567 % similar 5-Aminoisophthalic acid dimethyl ester99-27-466 % similar Methyl 3-aminobenzoate4518-10-963 % similar Methyl p-toluate99-75-262 % similar Methyl benzoate93-58-361 % similar Methyl 4-chlorobenzoate1126-46-160 % similar Methyl anisate121-98-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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