CAS 3891-07-4

Chemistry, 2 End Use API, 13 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 3891-07-4, 2-phthalimidoethanol, 2-(2-hydroxyethyl)isoindoline-1,3-dione, N-hydroxyethylphthalimide, 1h-isoindole-1,3(2h)-dione, 2-(2-hydroxyethyl)-, 2-(2-hydroxyethyl)isoindole-1,3-dione

Molecular Formula

C₁₀H₉NO₃

Molecular Weight

191.18 g/mol

InChI Key

MWFLUYFYHANMCM-UHFFFAOYSA-N

FDA UNII

61842K53O1

1 2D Structure

CAS 3891-07-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-hydroxyethyl)isoindole-1,3-dione

2.1.2 InChI

InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2

2.1.3 InChI Key

MWFLUYFYHANMCM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCO

2.2 Other Identifiers

2.2.1 UNII

61842K53O1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-hydroxyethylphtalimide

2. 2-hydroxyethylphthalimide

3. 2-hydroxyethylphthalimide, 15n-labeled

2.3.2 Depositor-Supplied Synonyms

1. 3891-07-4

2. 2-phthalimidoethanol

3. 2-(2-hydroxyethyl)isoindoline-1,3-dione

4. N-hydroxyethylphthalimide

5. 1h-isoindole-1,3(2h)-dione, 2-(2-hydroxyethyl)-

6. 2-(2-hydroxyethyl)isoindole-1,3-dione

7. 2-hydroxyethylphthalimide

8. Phthalimide, N-(2-hydroxyethyl)-

9. Mfcd00005903

10. Phthalimide, N-2-hydroxyethyl-

11. 2-(2-hydroxyethyl)-2,3-dihydro-1h-isoindole-1,3-dione

12. 2-(2-hydroxyethyl)-1h-isoindole-1,3(2h)-dione

13. Nsc 2773

14. Nsc-2773

15. Nsc 50624

16. Nsc-50624

17. 2-(2-hydroxy-ethyl)-isoindole-1,3-dione

18. 61842k53o1

19. N-[2-hydroxyethyl]phthalimide

20. 1h-isoindole-1, 2-(2-hydroxyethyl)-

21. N-hydroxyethylphthalmde

22. N-2-hydroxyethyl Phthalimide

23. Oprea1_140654

24. Oprea1_661592

25. Schembl64902

26. N-(2-hydroxyethyl)-phtalimide

27. Amy364

28. N-(2-hydroxyethyl)-phthalimide

29. Dtxsid1063225

30. Mwfluyfyhanmcm-uhfffaoysa-

31. Nsc2773

32. [n-{2-hydroxyethyl}] Phthalimide

33. Unii-61842k53o1

34. N-(.beta.-hydroxyethyl)phthalimide

35. Nsc50624

36. Einecs 223-434-4

37. Bbl036039

38. Stl356371

39. N-(2-hydroxyethyl)phthalimide, 99%

40. Akos000119922

41. Ab00540

42. Cs-w021382

43. 2-(n-phthalimidyl)ethyl Alcohol

44. S12314

45. 2-(2-hydroxyethyl) Isoindole-1,3-dione

46. 2-(2-hydroxyethyl)-1,3-isoindolinedione

47. Ac-29753

48. Sy048556

49. Ai3-02622

50. Bb 0218473

51. Ft-0676029

52. H0245

53. En300-18323

54. Ec 223-434-4

55. 2-(2-hydroxyethyl)-1h-isoindol-1,3(2h)-dione

56. A925203

57. 2-(2-hydroxyethyl)-1h-isoindole-1,3 (2h)-dione

58. J-523590

59. Q27263319

60. Z57902232

61. F0433-0457

62. Inchi=1/c10h9no3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12h,5-6h2

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉NO₃
Molecular Weight	191.18 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	57.6
Heavy Atom Count	14
Formal Charge	0
Complexity	240
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