3-[(Ethylphenylamino)methyl]benzenesulfonic acid

C₁₅H₁₇NO₃SCAS 101-11-1291.36 g/mol

Open in Covalent MOL file

Sulfonic acid Tertiary amine

Properties

Molecular formula: C₁₅H₁₇NO₃S
Molar mass: 291.36 g/mol
Exact mass: 291.0929 Da
logP: 2.96Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

101-11-1

SMILES

CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccccc1

InChIKey

BQGRVFPPZJPWPB-UHFFFAOYSA-N

InChI

InChI=1S/C15H17NO3S/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)

Weigh it out

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

Names and synonyms

7 names

Benzenesulfonic acid, 3-[(ethylphenylamino)methyl]-
m-Toluenesulfonic acid, α-(N-ethylanilino)-
EBASA
α-(N-Ethylanilino)-m-toluenesulfonic acid
N-Ethyl-N-(3-sulfobenzyl)aniline
α-N-Ethylanilinotoluene-3-sulfonic acid
N-Ethyl-N-benzylaminobenzene-3′-sulfonic acid

Work with 3-[(Ethylphenylamino)methyl]benzenesulfonic acid

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

Ethylbenzylaniline92-59-156 % similar N-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-851 % similar Fast green fcf2353-45-949 % similar Acid blue 92650-18-247 % similar Japan blue 1 aluminum lake68921-42-647 % similar 4-[Ethyl(phenylmethyl)amino]benzaldehyde67676-47-546 % similar N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-044 % similar Diethylaniline91-66-744 % similar

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

Same formula

4-[(Ethylphenylamino)methyl]benzenesulfonic acid92-60-4

Elsewhere

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