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CAS 17193-40-7

Chemistry, 1 End Use API, 32 Related Intermediates

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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

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 Formula	C₁₀H₁₃ClN₂O₄
Molecular Weight	260.67 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	260.0563846 g/mol
Monoisotopic Mass	260.0563846 g/mol
Topological Polar Surface Area	98.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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3-(Carbomoyl methyl)-5- methyl hexanoic acid

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CAS Number

87691-88-1

End Use API

Ziprasidone Hydrochloride

About the Company

Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, ...

Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecules & Chemical Preparation. We are Bulk Drugs and Chemical manufactures, Suppliers and Exporters. We have very strong team of Technocrats & Technical People engaged mainly into the New Molecules for various Multinational Companies. The company is now aimed towards the International Market & as our first step to it, we have started implementation of ISO 9001:2000 which is expected to be completed by end of 2002.

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