CAS 67004-64-2

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Chemistry

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Also known as: 67004-64-2, 2-(1-methylpyrrolidin-2-yl)ethanol, 1-methyl-2-pyrrolidine ethanol, 2-pyrrolidineethanol, 1-methyl-, 2-(2-hydroxyethyl)-1-methylpyrrolidine, 2-(1-methylpyrrolidin-2-yl)ethan-1-ol

Molecular Formula

C₇H₁₅NO

Molecular Weight

129.20 g/mol

InChI Key

FYVMBPXFPFAECB-UHFFFAOYSA-N

FDA UNII

46PY6SCZ39

1 2D Structure

CAS 67004-64-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1-methylpyrrolidin-2-yl)ethanol

2.1.2 InChI

InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3

2.1.3 InChI Key

FYVMBPXFPFAECB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCCC1CCO

2.2 Other Identifiers

2.2.1 UNII

46PY6SCZ39

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 67004-64-2

2. 2-(1-methylpyrrolidin-2-yl)ethanol

3. 1-methyl-2-pyrrolidine Ethanol

4. 2-pyrrolidineethanol, 1-methyl-

5. 2-(2-hydroxyethyl)-1-methylpyrrolidine

6. 2-(1-methylpyrrolidin-2-yl)ethan-1-ol

7. 2-(1-methyl-2-pyrrolidine)ethanol

8. 46py6scz39

9. Mfcd00003174

10. Einecs 266-538-5

11. Unii-46py6scz39

12. 1-methylpyrrolidine-2-ethanol

13. N-methyl-2-(2-hydroxyethyl)pyrrolidine

14. Schembl236633

15. Dtxsid40985827

16. (r)-1-methyl-2-pyrrolidineethanol

17. (s)-1-methyl-2-pyrrolidineethanol

18. Albb-021943

19. Bcp13364

20. (+)-1-methyl-2-pyrrolidineethanol

21. (?)-1-methyl-2-pyrrolidineethanol

22. 2-(n-methylpyrrolidin-2-yl)ethanol

23. 2-(1-methyl-2-pyrrolidinyl)ethanol

24. Stl387994

25. 2-(1-methylpyrrolidin-2-yl)-ethanol

26. Akos009156387

27. 1-methyl-2-pyrrolidine Ethanol, 98%

28. Cs-w013446

29. Sb13461

30. Sb13462

31. Sb13463

32. 2-(1-methyl-2-pyrrolidinyl)ethanol #

33. 2-(1-methyl-pyrrolidin-2-yl)-ethanol

34. 2-(2-hydroxyethyl)-n-methylpyrrolidine

35. N-methyl-2-(2-hydroxylethyl)pyrrolidine

36. Ac-15702

37. As-15528

38. Sy014916

39. Db-054981

40. A9005

41. Ft-0608477

42. M0908

43. En300-52526

44. 1-methyl-2-pyrrolidineethanol, (+/-)-

45. 004m642

46. Q-200127

47. Q27258948

48. Z1245634049

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₅NO
Molecular Weight	129.20 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	129.115364102 g/mol
Monoisotopic Mass	129.115364102 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1