CAS 249561-98-6

Virtual Booth

Contact Supplier

Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

10 Suppliers, 10 End Use APIs, 29 Related Intermediates

10 Suppliers
10 End Use APIs
29 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 249561-98-6, 291756-76-8, N-(2-chloro-3-(dimethylamino)allylidene)-n-methylmethanaminium hexafluorophosphate(v), 2-chloro-1,3-bis(dimentylamino)trimethinium hexafluorophosphate, Etoricoxib related compound c, Vinamidinium hexaflurophophate

Molecular Formula

C₇H₁₄ClF₆N₂P

Molecular Weight

306.62 g/mol

InChI Key

PIUHAULDXSPPQV-UHFFFAOYSA-N

FDA UNII

X3ESZ1676P

1 2D Structure

CAS 249561-98-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate

2.1.2 InChI

InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1

2.1.3 InChI Key

PIUHAULDXSPPQV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)C=C(C=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F

2.1.5 Isomeric SMILES

CN(C)/C=C(/C=[N+](C)C)\Cl.F[P-](F)(F)(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

X3ESZ1676P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 249561-98-6

2. 291756-76-8

3. N-(2-chloro-3-(dimethylamino)allylidene)-n-methylmethanaminium Hexafluorophosphate(v)

4. 2-chloro-1,3-bis(dimentylamino)trimethinium Hexafluorophosphate

5. Etoricoxib Related Compound C

6. Vinamidinium Hexaflurophophate

7. X3esz1676p

8. (z)-n-[2-chloro-3-(dimethylamino)allylidene]-n-methylmethanaminium Hexafluorophosphate

9. [(z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate

10. 2-propen-1-aminium, 2-chloro-3-(dimethylamino)-n,n-dimethyl-, (2z)-, Hexafluorophosphate(1-) (1:1)

11. N-[2-chloro-3-(dimethylamino)-2-propen-1-ylidene]-n-methylmethanaminium Hexafluorophosphate

12. N-[2-chloro-3-(dimethylamino)allylidene]-n-methylmethanaminium Hexafluorophosphate(v)

13. (z)-2-chloro-1,3-bis(dimethylamino)trimethinium Hexafluorophosphate

14. (z)-n-(2-chloro-3-(dimethylamino)allylidene)-n-methylmethanaminium Hexafluorophosphate(v)

15. 2-chloro-3-(dimethylamino)-n,n-dimethyl-2-propen-1-aminium Hexafluorophosphate(1-)

16. N-(2-chloro-3-(dimethylamino)-2-propenylidene)-n-methylmethanaminuium Hexafluorophosphate

17. N-(2-chloro-3-(dimethylamino)allylidene)-n-methylmethanaminiumhexafluorophosphate(v)

18. Methanaminium, N-((2z)-2-chloro-3-(dimethylamino)-2-propenylidene)-n-methyl-, Hexafluorophosphate(1-)

19. Methanaminium, N-(2-chloro-3-(dimethylamino)-2-propenylidene)-n-methyl-, Hexafluorophosphate(1-)

20. Mfcd08458255

21. Ec 619-785-1

22. Unii-x3esz1676p

23. Ac8643

24. Akos015852446

25. Am86804

26. Cs-w005317

27. (2z)-2-chloro-3-(dimethylamino)-n,n-dimethylprop-2-en-1-iminium Hexafluorophosphate

28. Etoricoxib Related Compound C [usp-rs]

29. As-18920

30. F15706

31. A876515

32. A904645

33. J-508592

34. Q27293510

35. 2-chloro-1,3-bis(dimethylamino)trimethinium Hexaflurophosphate

36. 2-chloro-1,3-bis(dimethylamino)trimethinium Hexafluorophosphate, Aldrichcpr

37. ((z)-2-chloro-3-dimethylamino-allylidene)-dimethyl-ammonium Hexafluoro Phosphate

38. 2-chloro-3-(dimethylamino)-n,n-dimethylprop-2-en-1-iminium Hexafluorophosphate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₄ClF₆N₂P
Molecular Weight	306.62 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	306.0487321 g/mol
Monoisotopic Mass	306.0487321 g/mol
Topological Polar Surface Area	6.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2