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Chemistry

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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

Diethylamine Salicylate
1 2D Structure

Diethylamine Salicylate

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

API Reference Price

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13-Oct-2021
23-May-2024
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