Sodium 2-amino-5-nitrobenzenesulfonate

C₆H₅N₂NaO₅SCAS 30693-53-9240.16 g/mol

Open in Covalent MOL file

Nitro Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₅N₂NaO₅S
Molar mass: 240.16 g/mol
Exact mass: 239.9817 Da
logP: 0.04Crippen estimate
Polar surface area: 123.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Identifiers

CAS number

30693-53-9

SMILES

Nc1ccc([N+]([O-])=O)cc1S([O-])(=O)=O.[Na+]

InChIKey

VFJSGZNHKDLAFV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,7H2,(H,11,12,13);

Weigh it out

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

Names and synonyms

5 names

Benzenesulfonic acid, 2-amino-5-nitro-, sodium salt (1:1)
Benzenesulfonic acid, 2-amino-5-nitro-, monosodium salt
2-Amino-5-nitrobenzenesulfonic acid sodium salt
Sodium 4-nitroaniline-2-sulfonate
4-Nitroaniline-2-sulfonic acid sodium salt

Work with Sodium 2-amino-5-nitrobenzenesulfonate

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

2-Chloro-5-nitrobenzenesulfonic acid sodium salt946-30-570 % similar Sodium 2,4-dinitrobenzenesulfonate885-62-165 % similar 2-(Methylsulfonyl)-4-nitrobenzenamine96-74-263 % similar 4-Nitroaniline-2-sulfonic acid96-75-363 % similar Mordant brown 333618-62-061 % similar Nitrol S127-68-459 % similar 4-Nitro-1,2-phenylenediamine99-56-957 % similar 2-Amino-4-nitrophenol sodium salt61702-43-056 % similar

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

Same formula

Sodium 2-nitroaniline-4-sulfonate5042-33-1

Elsewhere

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