chempirical

3-(2-(4-(Dimethylamino)phenyl)diazenyl)benzoic acid

C15H15N3O2CAS 20691-84-3269.30 g/mol

Open in Covalent MOL file
NNNOOH
AzoCarboxylic acidTertiary amine

Properties

Molecular formula
C15H15N3O2
Molar mass
269.30 g/mol
Exact mass
269.1164 Da
Melting point
207–208 °C
logP
3.87Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20691-84-3
SMILES
CN(C)c1ccc(N=Nc2cccc(C(=O)O)c2)cc1
InChIKey
JAMPLPMVLCTBSB-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N3O2/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(10-13)15(19)20/h3-10H,1-2H3,(H,19,20)

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Names and synonyms

9 names
  • 3-[2-[4-(Dimethylamino)phenyl]diazenyl]benzoic acid
  • Benzoic acid, 3-[2-[4-(dimethylamino)phenyl]diazenyl]-
  • Benzoic acid, m-[[p-(dimethylamino)phenyl]azo]-
  • Benzoic acid, 3-[[4-(dimethylamino)phenyl]azo]-
  • 3′-Carboxy-4-dimethylaminoazobenzene
  • 3-[4-(Dimethylamino)phenylazo]benzoic acid
  • m-Methyl red
  • meta-Methyl red
  • 3-[[4-(Dimethylamino)phenyl]diazenyl]benzoic acid

Work with 3-(2-(4-(Dimethylamino)phenyl)diazenyl)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

3-(Dimethylamino)benzoic acid99-64-964 % similar 4-(Dimethylamino)benzoic acid619-84-158 % similar 3-Acetamidobenzoic acid587-48-453 % similar Methyl yellow60-11-753 % similar p-Phenylazobenzoic acid1562-93-253 % similar 3-Chlorobenzoic acid535-80-850 % similar 4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-450 % similar 3-Isothiocyanatobenzoic acid2131-63-749 % similar

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

Same formula

Tacedinaline112522-64-2 Disperse yellow 32832-40-8 Methyl red493-52-7

Elsewhere

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