chempirical

Azomethine-H monosodium

C17H12NNaO8S2CAS 5941-07-1445.39 g/mol

Open in Covalent MOL file
O−SOOOHSOOOHNOHNa+
IminePhenolSulfonic acid

Properties

Molecular formula
C17H12NNaO8S2
Molar mass
445.39 g/mol
Exact mass
444.9902 Da
logP
2.11Crippen estimate
Polar surface area
161.6 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4

Identifiers

CAS number
5941-07-1
SMILES
[O-]S(=O)(=O)c1cc(O)c2c(c1)cc(S(=O)(=O)O)cc2N=Cc1ccccc1O.[Na+]
InChIKey
DCVVWHMUGIOBJJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H13NO8S2.Na/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14;/h1-9,19-20H,(H,21,22,23)(H,24,25,26);

Weigh it out

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

Names and synonyms

3 names
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(2-hydroxyphenyl)methylene]amino]-, sodium salt (1:1)
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(salicylideneamino)-, monosodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(2-hydroxyphenyl)methylene]amino]-, monosodium salt

Work with Azomethine-H monosodium

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

Azomethine H32266-60-782 % similar 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt5460-09-356 % similar Chromotropic acid disodium salt dihydrate5808-22-048 % similar Chromotropic acid148-25-445 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-742 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-141 % similar Ants5398-34-541 % similar H Acid90-20-040 % similar

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

Elsewhere

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