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Also known as: 17193-40-7, H-phe(4-no2)-ome.hcl, L-4-nitrophenylalanine methyl ester hydrochloride, 4-nitro-l-phenylalanine methyl ester hcl, (s)-4-nitrophenylalanine methyl ester hydrochloride, (s)-(+)-4-nitrophenylalanine methyl ester hydrochloride
Molecular Formula
C10H13ClN2O4
Molecular Weight
260.67  g/mol
InChI Key
BTHMRXRBXYHLRA-FVGYRXGTSA-N

CAS 17193-40-7
1 2D Structure

CAS 17193-40-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride
2.1.2 InChI
InChI=1S/C10H12N2O4.ClH/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15;/h2-5,9H,6,11H2,1H3;1H/t9-;/m0./s1
2.1.3 InChI Key
BTHMRXRBXYHLRA-FVGYRXGTSA-N
2.1.4 Canonical SMILES
COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl
2.1.5 Isomeric SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 17193-40-7

2. H-phe(4-no2)-ome.hcl

3. L-4-nitrophenylalanine Methyl Ester Hydrochloride

4. 4-nitro-l-phenylalanine Methyl Ester Hcl

5. (s)-4-nitrophenylalanine Methyl Ester Hydrochloride

6. (s)-(+)-4-nitrophenylalanine Methyl Ester Hydrochloride

7. (s)-methyl 2-amino-3-(4-nitrophenyl)propanoate Hydrochloride

8. L-4-nitrophenylalanine Methyl Ester, Hcl

9. L-phenylalanine, 4-nitro-, Methyl Ester, Monohydrochloride

10. Methyl (2s)-2-amino-3-(4-nitrophenyl)propanoate Hydrochloride

11. P-nitrophenylalanine Methyl Ester Hydrochloride

12. Methyl (2s)-2-amino-3-(4-nitrophenyl)propanoate, Chloride

13. Methyl (2s)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride

14. P-nitro-l-phenylalanine Methyl Ester Hydrochloride

15. H-phe(4'-no2)-ome Hcl

16. Mfcd00135754

17. H-p-nitro-phe-ome Hcl

18. L-4-no2-phe-ome Hcl

19. H-phe(4-no2)-ome Hcl

20. L-4-nitrophenylalaninemethylesterhydrochloride

21. Methyl 4-nitro-l-phenylalaninate Hydrochloride

22. Schembl240404

23. Dtxsid00471074

24. Act04408

25. Akos015845829

26. Akos015891210

27. Akos025395655

28. Ac-3475

29. Am83109

30. Cs-w002416

31. Hy-w002416

32. L-4-nitrophenylalanine Methyl Ester Hcl

33. P-nitro-l-phenylalanine Methyl Ester Hcl

34. As-17441

35. N0878

36. 4-nitrophenylalanine Methylester Hydrochloride

37. 4-nitrophenylaianine Methyl Ester Hydrochloride

38. 4-nitrophenylalanine Methyl Ester Hydrochloride

39. Methyl-4-nitro-l-phenylalanate Monohydrochloride

40. 193n407

41. J-010782

42. 4-nitro-l-phenylalanine Methyl Ester Monohydrochloride

43. Methyl 4-nitro-l-phenylalaninate Hydrochloride (1:1)

44. 4-nitro-l-phenylalanine Methyl Ester Hydrochloride Salt

45. Methyl 4-nitro-l-phenylalaninate--hydrogen Chloride (1/1)

46. (s)-(+)-4-nitrophenylalanine Methyl Ester Hydrochloride, 97%

47. Methyl(2s)-2-amino-3-(4-nitrophenyl)propanoate Hydrochloride

48. (s)-2-amino-3-(4-nitro-phenyl)-propionic Acid Methyl Ester, Hydrochloride

49. (s)-alfa-amino-4-nitro Benzenepropanoic Acid Methyl Ester Hydrochloride

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 260.67 g/mol
Molecular Formula C10H13ClN2O4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass260.0563846 g/mol
Monoisotopic Mass260.0563846 g/mol
Topological Polar Surface Area98.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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