Diethylamine salicylate

C11H17NO3CAS 4419-92-5211.26 g/mol

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NHOHOHO
Carboxylic acidPhenolSecondary amine

Properties

Molecular formula
C11H17NO3
Molar mass
211.26 g/mol
Exact mass
211.1208 Da
logP
1.71Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

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

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Identifiers

CAS number
4419-92-5
SMILES
CCNCC.O=C(O)c1ccccc1O
InChIKey
JGMKRAUEFASZKH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3

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

Names and synonyms

11 names
  • Benzoic acid, 2-hydroxy-, compd. with N-ethylethanamine (1:1)
  • Salicylic acid, compd. with diethylamine (1:1)
  • Salicylic acid, compd. with Et2NH
  • Salicylic acid, Et2NH salt
  • Diethylamine, compd. with salicylic acid (1:1)
  • Ethanamine, N-ethyl-, 2-hydroxybenzoate
  • Damsal
  • Diethylammonium salicylate
  • Salicylic acid diethylamine salt
  • Artrogota
  • Salicylate diethylamine

Work with Diethylamine salicylate

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.

Salicylic acid69-72-7Free acid Diethylamine109-89-7Free base Sodium salicylate54-21-7Salt Trolamine salicylate2174-16-5Salt Potassium salicylate578-36-9Salt Etamsylate2624-44-4Salt Zinc salicylate16283-36-6Salt (-)-Physostigmine salicylate57-64-7Salt (T-4)-Bis[2-(hydroxy-κO)benzoato-κO]magnesium18917-89-0Salt Ammonium salicylate528-94-9Salt Bismuth subsalicylate14882-18-9Salt Diclofenac diethylamine78213-16-8Salt

Similar compounds

3-Hydroxy-2-methylbenzoic acid603-80-553 % similar 2,3-Dihydroxybenzoic acid303-38-851 % similar Salicylsalicylic acid552-94-350 % similar 2'-Hydroxypropiophenone610-99-150 % similar 2-Ethylbenzoic acid612-19-150 % similar Phthalic acid88-99-350 % similar 3-Hydroxyanthranilic acid548-93-649 % similar 2-Hydroxybutyrophenone2887-61-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-3 tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-5 1,1-Dimethylethyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate198835-06-2 Metaproterenol586-06-1 Isoproterenol7683-59-2

Elsewhere

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