chempirical

Methyl 3-aminobenzoate

C8H9NO2CAS 4518-10-9151.16 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
39 °C
Boiling point
152–153 °C (at 11 Torr)
logP
1.06Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
4518-10-9
SMILES
COC(=O)c1cccc(N)c1
InChIKey
VZDNXXPBYLGWOS-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3

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Names and synonyms

9 names
  • Benzoic acid, 3-amino-, methyl ester
  • Benzoic acid, m-amino-, methyl ester
  • Methyl m-aminobenzoate
  • 3-(Methoxycarbonyl)aniline
  • 3-Carbomethoxyaniline
  • 3-Aminobenzoic acid methyl ester
  • m-Aminobenzoic acid methyl ester
  • Methyl 3-aminophenylcarboxylate
  • (3-(Methoxycarbonyl)phenyl)amine

Work with Methyl 3-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 isophthalate1459-93-472 % similar 5-Aminoisophthalic acid dimethyl ester99-27-468 % similar Ethyl 3-aminobenzoate582-33-264 % similar Methyl 4-aminobenzoate619-45-463 % similar m-Chlorobenzoic acid methyl ester2905-65-962 % similar Methyl m-fluorobenzoate455-68-562 % similar Methyl 3-bromobenzoate618-89-362 % similar Methyl m-toluate99-36-562 % 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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