chempirical

Methyl red sodium salt

C15H14N3NaO2CAS 845-10-3291.29 g/mol

Open in Covalent MOL file
NNNO−ONa+
AzoCarboxylic acidTertiary amine

Properties

Molecular formula
C15H14N3NaO2
Molar mass
291.29 g/mol
Exact mass
291.0984 Da
logP
3.49Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
845-10-3
SMILES
CN(C)c1ccc(N=Nc2ccccc2C([O-])=O)cc1.[Na+]
InChIKey
LMTJBYKTWFYXOK-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N3O2.Na/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);

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Names and synonyms

4 names
  • Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, sodium salt (1:1)
  • C.I. Acid Red 2, sodium salt
  • Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-, sodium salt
  • o-Methyl red sodium salt

Work with Methyl red sodium salt

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 red493-52-763 % similar Methyl yellow60-11-753 % similar Methyl orange547-58-048 % similar Fenaminosulf140-56-745 % similar 3-[2-[4-(Dimethylamino)phenyl]diazenyl]benzoic acid20691-84-344 % similar 2-[2-[4-(Dipropylamino)phenyl]diazenyl]benzoic acid2641-01-243 % similar Olsalazine sodium6054-98-443 % similar Sodium o-fluorobenzoate490-97-141 % similar

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

Elsewhere

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