chempirical

2-(Dimethylamino)benzoic acid

C9H11NO2CAS 610-16-2165.19 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acidTertiary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Density
0.9772 g/mL (at 17 °C)
Melting point
72 °C
Boiling point
126 °C (at 1.3 Torr)
logP
1.45Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
610-16-2
SMILES
CN(C)c1ccccc1C(=O)O
InChIKey
DVVXXHVHGGWWPE-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)

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

Names and synonyms

6 names
  • Benzoic acid, 2-(dimethylamino)-
  • Anthranilic acid, N,N-dimethyl-
  • N,N-Dimethylanthranilic acid
  • o-Dimethylaminobenzoic acid
  • NSC 45790
  • 2-(N,N-Dimethylamino)benzoic acid

Work with 2-(Dimethylamino)benzoic 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

Phthalic acid88-99-359 % similar Ammonium phthalate523-24-059 % similar Methyl N,N-dimethylanthranilate10072-05-654 % similar 2-Acetylbenzoic acid577-56-052 % similar Methyl red493-52-751 % similar Ammonium salicylate528-94-950 % similar Salicylic acid69-72-750 % similar 2-Bromobenzoic acid88-65-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4

Elsewhere

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