chempirical

Methyl N,N-dimethylanthranilate

C10H13NO2CAS 10072-05-6179.22 g/mol

Open in Covalent MOL file
OON
EsterTertiary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
logP
1.54Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
10072-05-6
SMILES
COC(=O)c1ccccc1N(C)C
InChIKey
ZCNSBHAIPOWHJE-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3

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

Names and synonyms

6 names
  • Benzoic acid, 2-(dimethylamino)-, methyl ester
  • Anthranilic acid, N,N-dimethyl-, methyl ester
  • Methyl o-(dimethylamino)benzoate
  • Methyl 2-(dimethylamino)benzoate
  • NSC 97545
  • N,N-Dimethylanthranilic acid methyl ester

Work with Methyl N,N-dimethylanthranilate

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 phthalate131-11-366 % similar Methyl 2-bromobenzoate610-94-656 % similar Methyl 2-methylbenzoate89-71-456 % similar Methyl salicylate119-36-854 % similar Methyl anthranilate134-20-354 % similar Methyl 2-fluorobenzoate394-35-454 % similar Methyl thiosalicylate4892-02-854 % similar Methyl 2-methoxybenzoate606-45-154 % similar

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

Same formula

Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 Dl-α-methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde1201-91-8 Propham122-42-9 β-Aminobenzenebutanoic acid15099-85-1

Elsewhere

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