Trolamine salicylate

C13H21NO6CAS 2174-16-5287.31 g/mol

Open in Covalent MOL file
OHOHOOHNHOOH
AlcoholCarboxylic acidPhenolTertiary amine

Properties

Molecular formula
C13H21NO6
Molar mass
287.31 g/mol
Exact mass
287.1369 Da
logP
-0.64Crippen estimate
Polar surface area
121.5 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2174-16-5
SMILES
O=C(O)c1ccccc1O.OCCN(CCO)CCO
InChIKey
UEVAMYPIMMOEFW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2

Weigh it out

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

Names and synonyms

9 names
  • Benzoic acid, 2-hydroxy-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)
  • Salicylic acid, compd. with 2,2′,2′′-nitrilotriethanol (1:1)
  • Ethanol, 2,2′,2′′-nitrilotris-, 2-hydroxybenzoate (salt)
  • Salicylic acid triethanolamine salt
  • Triethanolaminium salicylate
  • Myoflex
  • TEA salicylate
  • Sunarome W
  • Neo heliopan TS

Work with Trolamine 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 Triethanolamine102-71-6Free base Sodium salicylate54-21-7Salt Triethanolamine lauryl sulfate139-96-8Salt Potassium salicylate578-36-9Salt Zinc salicylate16283-36-6Salt (-)-Physostigmine salicylate57-64-7Salt Triethanolamine hydrochloride637-39-8Salt (T-4)-Bis[2-(hydroxy-κO)benzoato-κO]magnesium18917-89-0Salt Diethylamine salicylate4419-92-5Salt Ammonium salicylate528-94-9Salt Bismuth subsalicylate14882-18-9Salt

Similar compounds

2,3-Dihydroxybenzoic acid303-38-850 % similar Salicylsalicylic acid552-94-349 % similar Phthalic acid88-99-348 % similar Glycol salicylate87-28-548 % similar 5,5'-Methylenedisalicylic acid122-25-848 % similar 3-Hydroxyanthranilic acid548-93-648 % similar 3-Hydroxy-2-methylbenzoic acid603-80-548 % similar N-(2-Hydroxyethyl)phthalimide3891-07-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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