CAS 93246-53-8

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Also known as: 93246-53-8, 3-fluoro-4-morpholin-4-yl-phenylamine, 3-fluoro-4-(4-morpholinyl)aniline, 3-fluoro-4-morpholin-4-ylaniline, 3-fluoro-4-(morpholin-4-yl)aniline, 3-fluoro-4-morpholin-aniline

Molecular Formula

C₁₀H₁₃FN₂O

Molecular Weight

196.22 g/mol

InChI Key

FQGIBHQUVCGEAC-UHFFFAOYSA-N

FDA UNII

S59MCD5UHX

1 2D Structure

CAS 93246-53-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-fluoro-4-morpholin-4-ylaniline

2.1.2 InChI

InChI=1S/C10H13FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2

2.1.3 InChI Key

FQGIBHQUVCGEAC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1C2=C(C=C(C=C2)N)F

2.2 Other Identifiers

2.2.1 UNII

S59MCD5UHX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 93246-53-8

2. 3-fluoro-4-morpholin-4-yl-phenylamine

3. 3-fluoro-4-(4-morpholinyl)aniline

4. 3-fluoro-4-morpholin-4-ylaniline

5. 3-fluoro-4-(morpholin-4-yl)aniline

6. 3-fluoro-4-morpholin-aniline

7. 3-fluoro-4-(4-morpholinyl)-benzeamine

8. Benzenamine, 3-fluoro-4-(4-morpholinyl)-

9. N-(4-amino-2-fluorophenyl)morpholine

10. S59mcd5uhx

11. 3-fluoro-4-(4-morpholinyl)benzenamine

12. 3-fluoro-4-morpholinobenzenamine

13. Mfcd02571270

14. 3-fluoro-4-(4-morpholinyl)-benzenamine

15. 3-fluoro-4-morpholine-anline

16. 3-fluoro-4-morpholino-aniline

17. 3-fluoro-4-morpholin-4-ylphenylamine

18. Unii-s59mcd5uhx

19. 3-fluoro4-morpholinylaniline

20. Oprea1_094439

21. Schembl209737

22. 3-fluoro-4-morpholinyl Aniline

23. 3-fluoro-4-morpholinyl-aniline

24. 3-luoro-4-morpholin-4-ylaniline

25. Dtxsid40363323

26. Chebi:182776

27. 3-fluoro-4-morpholin-4-yl Aniline

28. Albb-012803

29. Bcp08803

30. Cs-d1063

31. Zinc1399227

32. Stk346601

33. 4-(2-fluoro-4-aminophenyl)morpholine

34. Akos000103081

35. Ac-3076

36. Pb29205

37. (3-fluoro-4-morpholin-4-ylphenyl)amine

38. 3-fluoro-4-(4-morpholinyl) Benzenamine

39. Bp-13092

40. Sy003773

41. [3-fluoro-4-(4-morpholinyl)phenyl]amine

42. Am20060433

43. F0849

44. En300-67519

45. A13946

46. 3-fluoro-4-(4-morpholinyl)aniline, Aldrichcpr

47. 246f538

48. 7r-1199

49. J-512500

50. Z274553238

2.4 Create Date

2005-07-11

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃FN₂O
Molecular Weight	196.22 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	196.10119120 g/mol
Monoisotopic Mass	196.10119120 g/mol
Topological Polar Surface Area	38.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	185
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