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    Technical details about CAS 98760-08-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 98760-08-8

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    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 98760-08-8, (2r,3s)-1,2-epoxy-3-(boc-amino)-4-phenylbutane, Tert-butyl ((s)-1-((r)-oxiran-2-yl)-2-phenylethyl)carbamate, (2r,3s)-3-(t-boc)amino-1,2-epoxy-4-phenylbutane, (2s,3s)-1,2-epoxy-3-(boc-amino)-4-phenylbutane, Tert-butyl n-[(1s)-1-[(2r)-oxiran-2-yl]-2-phenylethyl]carbamate
    Molecular Formula
    C15H21NO3
    Molecular Weight
    263.33  g/mol
    InChI Key
    NVPOUMXZERMIJK-STQMWFEESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(1S)-1-[(2R)-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-STQMWFEESA-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. 98760-08-8

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

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

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

    5. (2s,3s)-1,2-epoxy-3-(boc-amino)-4-phenylbutane

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

    7. (2r,3s)-3-(tert-boc)amino-1,2-epoxy-4-phenylbutane

    8. (2r,3s)-3-(n-boc-amino)-1-oxirane-4-phenylbutane

    9. Threo-n-boc-l-phenylalanine Epoxide

    10. Mfcd00671705

    11. Schembl639229

    12. Dtxsid00431092

    13. Act06761

    14. Amy33463

    15. Cs-b0126

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

    17. Zinc2579350

    18. Ac-132

    19. Ac-206

    20. Ac7588

    21. Akos015908505

    22. As-15475

    23. En300-93022

    24. (2r,3s)-3-boc-amino-1,2-epoxy-4-phenylbutane

    25. 2(r)-[1(s)-(boc-amino)-2-phenylethyl]-oxirane

    26. 760t088

    27. Q-102797

    28. (2s, 3r)-1, 2-epoxy-3-(boc-amino)-4-phenylbutane

    29. T-butyl[(s)-1-((r)-oxiran-2-yl)-2-phenylethyl]carbamate

    30. (2r, 3s)-3-tert-butoxycarbonylamino-1,2-epoxy-4-phenylbutane

    31. (2r,3s)-3-(t-butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane

    32. N-tert-butoxycarbonyl-3(s)-amino-1,2(r)-epoxy-4-phenylbutane

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

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

    35. Tert-butyl(1s)-1-[(2r)-oxiran-2-y1]-2-phenylethylcarbamate

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

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

    38. N-(tert-butoxycarbonyl)-2(s)-amino-1-phenyl-3(r)-3,4-epoxybutane

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

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

    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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