Trolamine Salicylate

C13H21NO6 — CID 25213

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)O.C(CO)N(CCO)CCO
InChIInChI=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
InChIKeyUEVAMYPIMMOEFW-UHFFFAOYSA-N
MW287.31 g/mol
LogP—
Rot. Bonds7

About Trolamine Salicylate

Trolamine Salicylate (PubChem CID 25213) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid.

Molecular Properties

Compound NameTrolamine Salicylate
PubChem CID25213
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)O.C(CO)N(CCO)CCO
InChIInChI=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
InChIKeyUEVAMYPIMMOEFW-UHFFFAOYSA-N
XLogP—
TPSA121.00 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity189

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

Choline Salicylate
CID 54686350
Choline Magnesium Trisalicylate
CID 54682045
Xenysalate
CID 21720
Salicylic acid monoethanolamine
CID 3085170
(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
Morpholine salicylate
CID 120183
Diethylamine salicylate
CID 9837223
Betaine salicylate
CID 71587021
3-(Diethylamino)-1-(2-hydroxyphenyl)-2-propen-1-one
CID 688259
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
CID 2646335
[3-(Tert-butylamino)-2-hydroxypropyl] 2-hydroxybenzoate
CID 44264056
Azane;2-hydroxybenzoic acid
CID 10716

Frequently Asked Questions

What is the IUPAC name of Trolamine Salicylate?
The IUPAC name of Trolamine Salicylate (CID 25213) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid.
What is the SMILES notation for Trolamine Salicylate?
The canonical SMILES for Trolamine Salicylate is C1=CC=C(C(=C1)C(=O)O)O.C(CO)N(CCO)CCO.
What is the InChIKey of Trolamine Salicylate?
The InChIKey is UEVAMYPIMMOEFW-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of Trolamine Salicylate?
Trolamine Salicylate has a molecular weight of 287.31 g/mol, XLogP of not available, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Trolamine Salicylate is sourced from PubChem (CID 25213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).