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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 20545-92-0, N-(2-hydroxyethyl)undec-10-enamide, Undecylenamide mea, Undecylenoyl monoethanolamide, N-(2-hydroxyethyl)-10-undecenamide, Undecylenic acid monoethanolamide

Molecular Formula

C₁₃H₂₅NO₂

Molecular Weight

227.34 g/mol

InChI Key

ISTASGAHDLTQRU-UHFFFAOYSA-N

FDA UNII

9870N09I68

1 2D Structure

Undecylenic acid monoethanolamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-hydroxyethyl)undec-10-enamide

2.1.2 InChI

InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-13(16)14-11-12-15/h2,15H,1,3-12H2,(H,14,16)

2.1.3 InChI Key

ISTASGAHDLTQRU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CCCCCCCCCC(=O)NCCO

2.2 Other Identifiers

2.2.1 UNII

9870N09I68

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 20545-92-0

2. N-(2-hydroxyethyl)undec-10-enamide

3. Undecylenamide Mea

4. Undecylenoyl Monoethanolamide

5. N-(2-hydroxyethyl)-10-undecenamide

6. Undecylenic Acid Monoethanolamide

7. 9870n09i68

8. N-(2-hydroxyethyl)undecenamide

9. N-(2-hydroxyethyl)undecylenamide

10. Unii-9870n09i68

11. Einecs 243-870-9

12. Mayfung

13. Metanid

14. Fungicid Uma

15. Undecylenic Monoethanolamide

16. Steinazid U 185

17. Steinazid U-185

18. Rewocid U 185

19. Rewocid U-185

20. Schembl3967869

21. Dtxsid4066624

22. Undecylenamide Mea [inci]

23. Undecenamide, N-(2-hydroxyethyl)-

24. Mfcd18967756

25. 10-undecenamide,n-(2-hydroxyethyl)-

26. Akos028110914

27. As-62522

28. Undecylenic Acid Monoethanolamide (mea)

29. Undecylenic Acid Monoethanolamide [who-dd]

30. Q27272090

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₅NO₂
Molecular Weight	227.34 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Exact Mass	227.188529040 g/mol
Monoisotopic Mass	227.188529040 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1