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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Also known as: 112-13-0, Decanoylchloride, Capric acid chloride, N-decanoyl chloride, Decanoic acid chloride, Fj16in0uim

Molecular Formula

C₁₀H₁₉ClO

Molecular Weight

190.71 g/mol

InChI Key

IPIVAXLHTVNRBS-UHFFFAOYSA-N

FDA UNII

FJ16IN0UIM

1 2D Structure

Capric Acid Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

decanoyl chloride

2.1.2 InChI

InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3

2.1.3 InChI Key

IPIVAXLHTVNRBS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCC(=O)Cl

2.2 Other Identifiers

2.2.1 UNII

FJ16IN0UIM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 112-13-0

2. Decanoylchloride

3. Capric Acid Chloride

4. N-decanoyl Chloride

5. Decanoic Acid Chloride

6. Fj16in0uim

7. Capric Chloride

8. C10h19clo

9. Einecs 203-938-0

10. Caprinoyl Chloride

11. Caprinic Acid Chloride

12. N-decanoic Acid Chloride

13. Decanoyl Chloride, 98%

14. Unii-fj16in0uim

15. Ec 203-938-0

16. Schembl234531

17. Dtxsid4059413

18. Zinc1847858

19. Bbl011427

20. Mfcd00000771

21. Stl146534

22. Akos005720773

23. As-14705

24. Bp-31006

25. D0027

26. Decanoyl Chloride, Purum, >=98.0% (gc)

27. Ft-0654464

28. A802494

29. J-002709

30. J-520212

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₉ClO
Molecular Weight	190.71 g/mol
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	17.1
Heavy Atom Count	12
Formal Charge	0
Complexity	112
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