chempirical

2-[2-[4-(Dipropylamino)phenyl]diazenyl]benzoic acid

C19H23N3O2CAS 2641-01-2325.41 g/mol

Open in Covalent MOL file
NNNOOH
AzoCarboxylic acidTertiary amine

Properties

Molecular formula
C19H23N3O2
Molar mass
325.41 g/mol
Exact mass
325.1790 Da
logP
5.43Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8

Identifiers

CAS number
2641-01-2
SMILES
CCCN(CCC)c1ccc(N=Nc2ccccc2C(=O)O)cc1
InChIKey
LIIDWKDFORMMDQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H23N3O2/c1-3-13-22(14-4-2)16-11-9-15(10-12-16)20-21-18-8-6-5-7-17(18)19(23)24/h5-12H,3-4,13-14H2,1-2H3,(H,23,24)

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Names and synonyms

7 names
  • Benzoic acid, 2-[2-[4-(dipropylamino)phenyl]diazenyl]-
  • Benzoic acid, o-[[p-(dipropylamino)phenyl]azo]-
  • Benzoic acid, 2-[[4-(dipropylamino)phenyl]azo]-
  • Propyl red
  • 2-[4-(Dipropylamino)phenylazo]benzoic acid
  • NSC 7803
  • 2-((4-(Dipropylamino)phenyl)diazenyl)benzoic acid

Work with 2-[2-[4-(Dipropylamino)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

Methyl red493-52-767 % similar 2-(4′-Hydroxyphenylazo)benzoic acid1634-82-859 % similar 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid54574-82-246 % similar N-Acetylanthranilic acid89-52-144 % similar Solvent yellow 562481-94-943 % similar Methyl red sodium salt845-10-343 % similar 4-(Diethylamino)benzoic acid5429-28-742 % similar 2-Acetoacetylaminobenzoic acid35354-86-042 % similar

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

Elsewhere

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