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    Technical details about CAS 98737-29-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 98737-29-2

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    2D Structure
    1. Also known as: 98737-29-2, (2s,3s)-n-t-boc-3-amino-1,2-epoxy-4-phenylbutane, 286019-82-7, (2s,3s)-(-)-3-(t-boc-amino)-1,2-epoxy-4-phenylbutane, Tert-butyl n-[(1s)-1-[(2s)-oxiran-2-yl]-2-phenylethyl]carbamate, (2s,3s)-3-boc-amino-1,2-epoxy-4-phenylbutane
    Molecular Formula
    C15H21NO3
    Molecular Weight
    263.33  g/mol
    InChI Key
    NVPOUMXZERMIJK-QWHCGFSZSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
    2.1.2 InChI
    InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13+/m0/s1
    2.1.3 InChI Key
    NVPOUMXZERMIJK-QWHCGFSZSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2CO2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 98737-29-2

    2. (2s,3s)-n-t-boc-3-amino-1,2-epoxy-4-phenylbutane

    3. 286019-82-7

    4. (2s,3s)-(-)-3-(t-boc-amino)-1,2-epoxy-4-phenylbutane

    5. Tert-butyl N-[(1s)-1-[(2s)-oxiran-2-yl]-2-phenylethyl]carbamate

    6. (2s,3s)-3-boc-amino-1,2-epoxy-4-phenylbutane

    7. Tert-butyl [s-(r*,r*)]-(-)-(1-oxiranyl-2-phenylethyl)carbamate

    8. Tert-butyl ((s)-1-((s)-oxiran-2-yl)-2-phenylethyl)carbamate

    9. (2s,3s)-n-boc-3-amino-1,2-epoxy-4-phenylbutane

    10. (2s,3s)-(-)-3-tert-butoxycarbonylamino-1,2-epoxy-4-phenylbutane

    11. Tert-butyl Rel-((s)-1-((s)-oxiran-2-yl)-2-phenylethyl)carbamate

    12. Tert-butyl N-[(1s)-1-((2s)-oxiran-2-yl)-2-phenylethyl]carbamate

    13. Mfcd02258997

    14. (2s,3s)-1,2-epoxy-3-(tert-butoxycarbonylamino)-4-phenylbutane

    15. Ec 425-420-5

    16. Tert-butyl [(s)-1-[(s)-oxiran-2-yl]-2-phenylethyl]carbamate

    17. Schembl1104909

    18. Dtxsid801173325

    19. Act02842

    20. Bcp12784

    21. Tert-butyl {(1s)-1-[(2s)-oxiran-2-yl]-2-phenylethyl}carbamate

    22. Zinc2567352

    23. Ac7771

    24. Tert-butyl (1s)-n-(1-((2s)-2-oxiranyl)-2-phenylethyl)carbamate

    25. Akos015894820

    26. Cs-w002934

    27. Gs-3357

    28. Am20060765

    29. E0893

    30. 737e292

    31. A845902

    32. (2s,3s)-3-(boc-amino)-1,2-epoxy-4-phenylbutane

    33. 2s,3s)-1,2-epoxy-3-(boc-amino)-4-phenylbutane

    34. J-501033

    35. T-butyl [1(s)-benzyl-2(s),3-epoxypropyl]carbamate

    36. (2s,3s)-1,2-epoxy-3-(boc-amino)-4-phenylbutane, 99%

    37. Tert-butyl (1s)-1-[(2s)-oxiranyl]-2-phenylethylcarbamate

    38. Tert-butyl(s)-1-((s)-oxiran-2-yl)-2-phenylethylcarbamate

    39. (2s, 3s)-3-tert-butoxycarbonylamino-1,2-epoxy-4-phenylbutane

    40. (2s,3s)-(n-boc-3-amino)-1,2-epoxy-4-phenylbutane

    41. (2s,3s)-3-tert-butoxycarbonylamino-1,2-epoxy-4-phenylbutane

    42. 3(s)-(t-butyloxycarbonyl)amino-1,2(s)-epoxy-4-phenylbutane

    43. Tert-butyl (1s)-1-[(2s)-oxiran-2-yl]-2-phenylethylcarbamate

    44. Tert-butyl(1s)-1-[(2s)-oxiran-2-yl]-2-phenylethylcarbamate

    45. ((s)-(s)-1-oxiranyl-2-phenyl-ethyl)-carbamic Acid Tert-butyl Ester

    46. ((s)-1-(s)-oxiranyl-2-phenyl-ethyl)-carbamic Acid Tert-butyl Ester

    47. (2s,3s)-3-(tert-butoxycarbonylamino)-1,2-epoxy-4-phenylbutane

    48. [(alphas,2s)-alpha-benzylglycidyl]carbamic Acid Tert-butyl Ester

    49. Tert-butyl ((s)-(r,r))-(-)-(1-oxiranyl-2-phenylethyl)carbamate

    50. Tert-butyl (s)-1-((s)-oxiran-2-yl)-2-phenylethylcarbamate

    51. 1,1-dimethylethyl {(1s)-1-[(2s)-2-oxiranyl]-2-phenylethyl}carbamate

    52. N-[(1s)-1-[(2s)-2-oxiranyl]-2-phenylethyl]-carbamic Acid 1,1-dimethylethyl Ester

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 263.33 g/mol
    Molecular Formula C15H21NO3
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass263.15214353 g/mol
    Monoisotopic Mass263.15214353 g/mol
    Topological Polar Surface Area50.9 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity305
    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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