Sodium 3-(ethyl(phenyl)amino)propane-1-sulfonate

C₁₁H₁₆NNaO₃SCAS 82611-85-6265.30 g/mol

Open in Covalent MOL file

Sulfonic acid Tertiary amine

Properties

Molecular formula: C₁₁H₁₆NNaO₃S
Molar mass: 265.30 g/mol
Exact mass: 265.0749 Da
logP: -1.55Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

82611-85-6

SMILES

CCN(CCCS(=O)(=O)[O-])C1=CC=CC=C1.[Na+]

InChIKey

FFJBIXKLISICDT-UHFFFAOYSA-M

InChI

InChI=1S/C11H17NO3S.Na/c1-2-12(9-6-10-16(13,14)15)11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14,15);/q;+1/p-1

Weigh it out

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Names and synonyms

1 names

N-Ethyl-N-(3-sulfopropyl)aniline sodium salt

Work with Sodium 3-(ethyl(phenyl)amino)propane-1-sulfonate

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

Sodium 3-(N-ethyl-3-methylanilino)propanesulfonate40567-80-477 % similar Espas82611-88-969 % similar Sodium 4,4'-((3,5-dimethylphenyl)azanediyl)bis(butane-1-sulfonate)209518-16-151 % similar Sodium 3-(10H-phenothiazin-10-yl)propane-1-sulfonate101199-38-650 % similar TOOS sodium salt82692-93-146 % similar N-Ethyl-N-(2-chloroethyl)aniline92-49-946 % similar Diethylaniline91-66-746 % similar 2-(Ethylphenylamino)ethanol92-50-245 % similar

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

Elsewhere

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