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    Technical details about CAS-2449-05-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-2449-05-0

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    2D Structure
    1. Also known as: 2449-05-0, Mfcd00016737, 952229-16-2, Benzyl n-phenylmethoxycarbonyliminocarbamate, Dibenzyl diazenedicarboxylate, Dsstox_cid_24887
    Molecular Formula
    C16H14N2O4
    Molecular Weight
    298.29  g/mol
    InChI Key
    IRJKSAIGIYODAN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl N-phenylmethoxycarbonyliminocarbamate
    2.1.2 InChI
    InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2
    2.1.3 InChI Key
    IRJKSAIGIYODAN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2449-05-0

    2. Mfcd00016737

    3. 952229-16-2

    4. Benzyl N-phenylmethoxycarbonyliminocarbamate

    5. Dibenzyl Diazenedicarboxylate

    6. Dsstox_cid_24887

    7. Dsstox_rid_80560

    8. Dsstox_gsid_44887

    9. Dibenzyl Azodicarboxylate, 96%

    10. Chembl3182293

    11. Dtxsid3044887

    12. Zinc4521175

    13. Tox21_301610

    14. Zinc12360038

    15. Akos024348901

    16. Zinc242522412

    17. Dibenzyl (e)-1,2-diazenedicarboxylate

    18. Ncgc00256225-01

    19. Nci60_006088

    20. Sy033282

    21. Cas-2449-05-0

    22. Db-046468

    23. Ft-0624649

    24. 4-chloro-2-(naphthalen-2-yl)quinoline

    25. C93451

    26. Q27285524

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 298.29 g/mol
    Molecular Formula C16H14N2O4
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass298.09535693 g/mol
    Monoisotopic Mass298.09535693 g/mol
    Topological Polar Surface Area77.3 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity350
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1
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