chempirical

4-Amino-2-methylbenzoic acid

C8H9NO2CAS 2486-75-1151.16 g/mol

Open in Covalent MOL file
NH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
158–164 °C (decomposes)
logP
1.28Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
2486-75-1
SMILES
Cc1cc(N)ccc1C(=O)O
InChIKey
XRSQZFJLEPBPOZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)

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

Names and synonyms

5 names
  • Benzoic acid, 4-amino-2-methyl-
  • o-Toluic acid, 4-amino-
  • 2-Methyl-4-aminobenzoic acid
  • 2-Methyl-p-aminobenzoic acid
  • NSC 49299

Work with 4-Amino-2-methylbenzoic 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

5-Amino-2-methylbenzoic acid2840-04-275 % similar 4-Aminophthalic acid5434-21-968 % similar 2,4-Dimethylbenzoic acid611-01-864 % similar 4-Hydroxy-2-methylbenzoic acid578-39-262 % similar 4-Aminosalicylic acid65-49-662 % similar 4-Amino-2-chlorobenzoic acid2457-76-360 % similar 4-Bromo-2-methylbenzoic acid68837-59-260 % similar 4-Chloro-2-methylbenzoic acid7499-07-260 % 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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