Azomethine-H sodium

C₁₇H₁₄NNaO₉S₂CAS 206752-32-1463.41 g/mol

Open in Covalent MOL file

Imine Phenol Sulfonic acid

Properties

Molecular formula: C₁₇H₁₄NNaO₉S₂
Molar mass: 463.41 g/mol
Exact mass: 463.0008 Da
logP: -1.67Crippen estimate
Polar surface area: 195.9 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation92.9% of notifiers
H319 Causes serious eye irritation95.2% of notifiers
H335 May cause respiratory irritation90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

206752-32-1

SMILES

C1=CC=C(C(=C1)C=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)O)O.O.[Na+]

InChIKey

AAIGDXDVSZJVSW-UHFFFAOYSA-M

InChI

InChI=1S/C17H13NO8S2.Na.H2O/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);;1H2/q;+1;/p-1

Weigh it out

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

Names and synonyms

1 names

Azomethin-H monosodium salt hydrate

Work with Azomethine-H sodium

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Azomethine-H monosodium5941-07-1Anhydrous Azomethine H32266-60-7Free acid

Similar compounds

Chromotropic acid disodium salt dihydrate5808-22-054 % similar 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt5460-09-353 % similar Chromotropic acid148-25-443 % similar Acid chrome blue K3270-25-542 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-740 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-139 % similar ANTS5398-34-539 % similar Orange G1936-15-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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