4-(4-Aminophenyl)morpholin-3-one

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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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Also known as: 438056-69-0, 3-morpholinone, 4-(4-aminophenyl)-, 4-(4-aminophenyl)-3-morpholinone, Mfcd08236742, H6n2py6wst, C10h12n2o2

Molecular Formula

C₁₀H₁₂N₂O₂

Molecular Weight

192.21 g/mol

InChI Key

MHCRLDZZHOVFEE-UHFFFAOYSA-N

FDA UNII

H6N2PY6WST

1 2D Structure

4-(4-Aminophenyl)morpholin-3-one

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4-aminophenyl)morpholin-3-one

2.1.2 InChI

InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2

2.1.3 InChI Key

MHCRLDZZHOVFEE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCC(=O)N1C2=CC=C(C=C2)N

2.2 Other Identifiers

2.2.1 UNII

H6N2PY6WST

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 438056-69-0

2. 3-morpholinone, 4-(4-aminophenyl)-

3. 4-(4-aminophenyl)-3-morpholinone

4. Mfcd08236742

5. H6n2py6wst

6. C10h12n2o2

7. N-(4-aminophenyl)-3-morpholinone

8. 4-(4-aminophenyl) Morpholin-3-one

9. 4-(3-oxo-4-morpholinyl)aniline

10. 4-(4-amino-phenyl)-morpholin-3-one

11. Unii-h6n2py6wst

12. Ec 610-147-8

13. 4-(3-oxomorpholino)aniline

14. Schembl76558

15. 4-(4-morpholin-3-onyl)aniline

16. Dtxsid90458314

17. Albb-036321

18. Bcp27186

19. Cs-b0473

20. 4-(4-aminophenyl)-morpholin-3-one

21. 4-(4-aminophenyl)morpholine-3-one

22. Bbl037032

23. Cl3546

24. Stl560142

25. Zinc20398316

26. 4-(3-oxo-morpholin-4-yl)phenylamine

27. 4-(4-amino-phenyl)-morpholine-3-one

28. Akos006284751

29. Ac-2721

30. Bcp9000132

31. He-0208

32. N-4-aminophenylmorpholin-3-one

33. Pb25032

34. Sy002674

35. Am20040476

36. 4-(4-aminophenyl)morpholin-3-one, Aldrichcpr

37. A15571

38. 056a690

39. 4-(4-aminophenyl-2,3,5,6-d4)morpholin-3-one

40. Q-102520

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₂O₂
Molecular Weight	192.21 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	192.089877630 g/mol
Monoisotopic Mass	192.089877630 g/mol
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	212
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