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CAS 101-98-4
PharmaCompass
CAS 101-98-4
Also known as: 101-98-4, 2-(benzyl(methyl)amino)ethanol, 2-[benzyl(methyl)amino]ethanol, Ethanol, 2-[methyl(phenylmethyl)amino]-, 2-(benzylmethylamino)ethanol, 2-[benzyl(methyl)amino]ethan-1-ol
Molecular Formula
C10H15NO
Molecular Weight
165.236  g/mol
InChI Key
WOUANPHGFPAJCA-UHFFFAOYSA-N
FDA UNII
61LYX8089C

1 2D Structure

CAS 101-98-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[benzyl(methyl)amino]ethanol
2.1.2 InChI
InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
2.1.3 InChI Key
WOUANPHGFPAJCA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(CCO)CC1=CC=CC=C1
2.2 Other Identifiers
2.2.1 UNII
61LYX8089C
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 101-98-4

2. 2-(benzyl(methyl)amino)ethanol

3. 2-[benzyl(methyl)amino]ethanol

4. Ethanol, 2-[methyl(phenylmethyl)amino]-

5. 2-(benzylmethylamino)ethanol

6. 2-[benzyl(methyl)amino]ethan-1-ol

7. N-methyl-n-benzylethanolamine

8. 2-(benzyl-methyl-amino)-ethanol

9. Ethanol, 2-(benzylmethylamino)-

10. N-benzyl-n-methyl-n-ethanolamine

11. Wouanphgfpajca-uhfffaoysa-n

12. 2-(n-benzyl-n-methylamino)ethanol

13. Ethanol, 2-(methyl(phenylmethyl)amino)-

14. St50405225

15. 2-[n-benzyl-n-methylamino]ethanol

16. Unii-61lyx8089c

17. Einecs 202-994-3

18. Nmnbea

19. Ai3-26797

20. Ac1q7cvo

21. Ac1l26cz

22. Ac1q3xi6

23. Acmc-1c92l

24. N-benzyl-n-methylethanolamne

25. 2-(methylbenzylamino)ethanol

26. Ksc494m3t

27. Schembl135868

28. N-benzyl-n-methyl Ethanolamine

29. N-benzyl-n-methyl-ethanolamine

30. N-benzyl-n-methyl Ethanol Amine

31. Dtxsid5059242

32. 2-[methylbenzylamino]ethan-1-ol

33. Ctk3j4639

34. Molport-001-790-819

35. N-benzyl-n-methyl-2-aminoethanol

36. 2-(benzyl(methyl);amino);ethanol

37. 61lyx8089c

38. Zinc389763

39. 2-(n-benzyl-n-methylamino)-ethanol

40. Anw-53767

41. Mfcd00002847

42. Akos009058975

43. 2-(n-benzyl-n-methylamino)ethan-1-ol

44. Ac-5627

45. Cs-w023196

46. Mcule-9573030800

47. Rl00100

48. Tra0127750

49. Vz36507

50. Ks-000018h9

51. N-(2-hydroxyethyl)-n-benzyl-methylamine

52. Aj-20937

53. Ak-95368

54. An-10757

55. Ds-18032

56. Or194203

57. Sc-22800

58. Ab0066737

59. Db-000319

60. Rt-002112

61. Tl8000108

62. Ft-0689183

63. St24027608

64. Z3808

65. A11883

66. M-7402

67. I01-7325

68. J-000530

69. J-523483

70. N-benzyl-n-methylethanolamine, Technical Grade, 90%

71. Z137706074

72. N-benzyl-n-methylethanolamine, United States Pharmacopeia (usp) Reference Standard

73. 53014-43-0

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 165.236 g/mol
Molecular Formula C10H15NO
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass165.115 g/mol
Monoisotopic Mass165.115 g/mol
Topological Polar Surface Area23.5 A^2
Heavy Atom Count12
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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