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Technical details about (1S,2R)-D-Nmethylephedrine Base, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: (+)-methylephedrine, (1s,2r)-(+)-n-methylephedrine, Methylephedrine, (+)-, 42151-56-4, D-n-methylephedrine, Methylephedrine, d-
Molecular Formula
C11H17NO
Molecular Weight
179.26  g/mol
InChI Key
FMCGSUUBYTWNDP-MWLCHTKSSA-N
FDA UNII
VP306Z33KI

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m1/s1
2.1.3 InChI Key
FMCGSUUBYTWNDP-MWLCHTKSSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=CC=C1)O)N(C)C
2.1.5 Isomeric SMILES
C[C@H]([C@H](C1=CC=CC=C1)O)N(C)C
2.2 Other Identifiers
2.2.1 UNII
VP306Z33KI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. (+)-methylephedrine

2. (1s,2r)-(+)-n-methylephedrine

3. Methylephedrine, (+)-

4. 42151-56-4

5. D-n-methylephedrine

6. Methylephedrine, D-

7. (1s,2r)-2-(dimethylamino)-1-phenylpropan-1-ol

8. (1s,2r)-n-methylephedrine

9. N-methylephedrine D-form [mi]

10. L-(+)-erythro-n-methylephedrine

11. (1s,2r)-2-dimethylamino-1-phenylpropanol

12. Vp306z33ki

13. Unii-vp306z33ki

14. R,s-(-)-n-methylephedrine

15. S,r-(+)-n-methylephedrine

16. N-methylephedrine, D-

17. Schembl2712293

18. Dtxsid20962313

19. Dtxsid701021165

20. 1201-56-5

21. Zinc3643826

22. Benzenemethanol, Alpha-((1r)-1-(dimethylamino)ethyl)-, (alphas)-

23. Akos025405530

24. (1s,2r)-(+)-n-methylephedrine, 99%

25. J-500060

26. Q27291941

27. Benzenemethanol, .alpha.-((1r)-1-(dimethylamino)ethyl)-, (.alpha.s)-

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 179.26 g/mol
Molecular Formula C11H17NO
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass179.131014166 g/mol
Monoisotopic Mass179.131014166 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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