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

CAS 101-98-4
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. N-methyl-n-benzylethanolamine

7. Ethanol, 2-(benzylmethylamino)-

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

9. N-benzyl-n-methyl-ethanolamine

10. 2-(benzyl-methyl-amino)-ethanol

11. N-benzyl-n-methyl-2-aminoethanol

12. 61lyx8089c

13. 2-(n-benzyl-n-methylamino)ethanol

14. 2-[methyl(phenylmethyl)amino]ethanol

15. Mfcd00002847

16. 2-[n-benzyl-n-methylamino]ethanol

17. Unii-61lyx8089c

18. N-benzyl-n-methyl-n-ethanolamine

19. Einecs 202-994-3

20. 2-[benzyl(methyl)amino]ethan-1-ol

21. Nmnbea

22. Ai3-26797

23. N-benzyl-n-methylethanolamne

24. 2-(methylbenzylamino)ethanol

25. Schembl135868

26. N-benzyl-n-methyl Ethanolamine

27. N-benzyl-n-methyl Ethanol Amine

28. Dtxsid5059242

29. Zinc389763

30. 2-(n-benzyl-n-methylamino)-ethanol

31. Akos009058975

32. 2-(n-benzyl-n-methylamino)ethan-1-ol

33. Ac-5627

34. Cs-w023196

35. Sb76028

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

37. Ds-18032

38. Sy025492

39. Db-000319

40. Ft-0689183

41. .beta.-(n-benzyl-n-methylamino)ethanol

42. D70360

43. N-benzyl-n-methyl-ethanolamine [usp-rs]

44. J-000530

45. J-523483

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

47. Q27263356

48. Z137706074

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

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 165.23 g/mol
Molecular Formula C10H15NO
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass165.115364102 g/mol
Monoisotopic Mass165.115364102 g/mol
Topological Polar Surface Area23.5 Ų
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

BUILDING BLOCK

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