CAS 168828-81-7

Also known as: 168828-81-7, N-benzyloxycarbonyl-3-fluoro-4-morpholinoaniline, Benzyl n-(3-fluoro-4-morpholin-4-ylphenyl)carbamate, Benzyl 3-fluoro-4-morpholinophenylcarbamate, 3-fluoro-n-cbz-4-morpholinoaniline, Benzyl 3-fluoro-4-(4-morpholinyl)phenylcarbamate

Molecular Formula

C₁₈H₁₉FN₂O₃

Molecular Weight

330.4 g/mol

InChI Key

XKGUZGHMWUIYDR-UHFFFAOYSA-N

1 2D Structure

CAS 168828-81-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

2.1.2 InChI

InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)

2.1.3 InChI Key

XKGUZGHMWUIYDR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 168828-81-7

2. N-benzyloxycarbonyl-3-fluoro-4-morpholinoaniline

3. Benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

4. Benzyl 3-fluoro-4-morpholinophenylcarbamate

5. 3-fluoro-n-cbz-4-morpholinoaniline

6. Benzyl 3-fluoro-4-(4-morpholinyl)phenylcarbamate

7. Benzyl 3-fluoro-4-(4-morpholinyl)phenyl)carbamate

8. Mfcd06658240

9. (3-fluoro-4-morpholin-4-yl-phenyl)-carbamic Acid Benzyl Ester

10. Carbamic Acid, [3-fluoro-4-(4-morpholinyl)phenyl]-, Phenylmethyl Ester

11. N-carbobenzoxy-3-fluoro-4-morpholinyl Aniline

12. Benzyl [3-fluoro-4-(morpholin-4-yl)phenyl]carbamate

13. (3-fluoro-4-morpholinophenyl)carbamic Acid Benzyl Ester

14. Benzyl N-[3-fluoro-4-(morpholin-4-yl)phenyl]carbamate

15. (3-fluoro-4-morpholin-4-ylphenyl)carbamic Acid Benzyl Ester

16. Ammoniumgluconate

17. Carbamic Acid, N-[3-fluoro-4-(4-morpholinyl)phenyl]-, Phenylmethyl Ester

18. Schembl2152084

19. Chembl5005501

20. Dtxsid50415463

21. Bcp08806

22. Zinc4710359

23. Stk688840

24. Akos005601537

25. Ac-22727

26. As-67703

27. Sy019397

28. Carbobenzoxy-3-fluoro-4-morpholinyl-aniline

29. Db-043766

30. Am20030127

31. Cs-0150068

32. Ft-0643614

33. N-carbobenzyloxy-3-fluoro-4-morpholinyl Aniline

34. 828b817

35. A811023

36. J-523484

37. (phenylmethyl) N-(3-fluoranyl-4-morpholin-4-yl-phenyl)carbamate

38. [3-fluoro-4(4-morpholinyl)phenyl]carbamic Acid Phenylmethyl Ester

39. N-[3-fluoro-4-(4-morpholinyl)phenyl]carbamic Acid (phenylmethyl) Ester

2.3 Create Date

2005-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₉FN₂O₃
Molecular Weight	330.4 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	330.13797063 g/mol
Monoisotopic Mass	330.13797063 g/mol
Topological Polar Surface Area	50.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	398
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

168828-81-7

End Use API

Linezolid

About the Company

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutica...

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spectrum of intermediates, including advance intermediates, cGMP, & non-GMP intermediates. We represent GMP and WHO-certified manufacturers of APIs & advanced intermediates, offering Distribution & Agency services with rigorous selection processes & regular audits to guarantee top-quality products. Moreover, our global Strategic Sourcing capabilities provide high-quality ingredients & performance chemicals to the Pharmaceuticals & Specialty Chemical Industries.

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3-Fluoro-4-morpholin-4-ylphenyl)carbamic acid benzyl es...

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168828-81-7

End Use API

Linezolid

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Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!

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Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplyin...

Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range like pharmaceuticals, agrochemicals, electronic chemicals, surfactants and other specialty chemicals.

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