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Technical details about Diethylamine Salicylate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 4419-92-5, Diethylamine 2-hydroxybenzoate, N-ethylethanamine;2-hydroxybenzoic acid, Diethylammonium salicylate, Schembl1070298, Dtxsid20963183
Molecular Formula
C11H17NO3
Molecular Weight
211.26  g/mol
InChI Key
JGMKRAUEFASZKH-UHFFFAOYSA-N
FDA UNII
5V7PT38BJU

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-ethylethanamine;2-hydroxybenzoic acid
2.1.2 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
2.1.3 InChI Key
JGMKRAUEFASZKH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCNCC.C1=CC=C(C(=C1)C(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
5V7PT38BJU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Algesal

2.3.2 Depositor-Supplied Synonyms

1. 4419-92-5

2. Diethylamine 2-hydroxybenzoate

3. N-ethylethanamine;2-hydroxybenzoic Acid

4. Diethylammonium Salicylate

5. Schembl1070298

6. Dtxsid20963183

7. Diethylamine Salicylate [mart.]

8. Sb78772

9. Diethylamine Salicylate [who-dd]

10. Ds-14103

11. Db-051194

12. Cs-0187365

13. Ft-0624875

14. D81871

15. 2-hydroxybenzoic Acid--n-ethylethanamine (1/1)

16. A855543

17. Q27262917

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 211.26 g/mol
Molecular Formula C11H17NO3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass211.12084340 g/mol
Monoisotopic Mass211.12084340 g/mol
Topological Polar Surface Area69.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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