Stearic Acid Diethanolamide

Synopsis, Chemistry

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Also known as: 93-82-3, N,n-bis(2-hydroxyethyl)octadecanamide, Stearamide dea, Stearic diethanolamide, Octadecanamide, n,n-bis(2-hydroxyethyl)-, Stearic acid diethanolamide

Molecular Formula

C₂₂H₄₅NO₃

Molecular Weight

371.6 g/mol

InChI Key

XGZOMURMPLSSKQ-UHFFFAOYSA-N

FDA UNII

4V4H07OJB9

1 2D Structure

Stearic Acid Diethanolamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-bis(2-hydroxyethyl)octadecanamide

2.1.2 InChI

InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3

2.1.3 InChI Key

XGZOMURMPLSSKQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO

2.2 Other Identifiers

2.2.1 UNII

4V4H07OJB9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 93-82-3

2. N,n-bis(2-hydroxyethyl)octadecanamide

3. Stearamide Dea

4. Stearic Diethanolamide

5. Octadecanamide, N,n-bis(2-hydroxyethyl)-

6. Stearic Acid Diethanolamide

7. Diethanolamine Stearic Acid Amide

8. Stearoyl Diethanolamide

9. 4v4h07ojb9

10. C17dea

11. Unii-4v4h07ojb9

12. Einecs 202-280-1

13. Schembl225819

14. Stearamide Dea [inci]

15. Dtxsid4059091

16. Stearic Diethanolamide [ii]

17. Mfcd00083078

18. Zinc85964497

19. N,n-bis(2-hydroxy-ethyl) Stearamide

20. Akos037645530

21. Stearic Acid Diethanol Amide, Aldrichcpr

22. As-61237

23. Cs-0238555

24. D81489

25. W-109348

26. Q27260544

27. 65256-28-2

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₄₅NO₃
Molecular Weight	371.6 g/mol
XLogP3	6.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	20
Exact Mass	371.33994430 g/mol
Monoisotopic Mass	371.33994430 g/mol
Topological Polar Surface Area	60.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	291
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