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    CAS 1210348-34-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1210348-34-7, Tert-butyl n-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate oxalate, Tert-butyl [(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate, Tert-butyl n-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid, Tert - butyl [(1r,2s,5s) - 2 - amino - 5 - [(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate, Tert-butyl ((1r,2s,5s)-2-amino-5-((dimethylamino)carbonyl)cyclohexyl)carbamate oxalate
    Molecular Formula
    C16H29N3O7
    Molecular Weight
    375.42  g/mol
    InChI Key
    IERZZGXDUZIMSC-PBDVDRNWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid
    2.1.2 InChI
    InChI=1S/C14H27N3O3.C2H2O4/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6)/t9-,10-,11+;/m0./s1
    2.1.3 InChI Key
    IERZZGXDUZIMSC-PBDVDRNWSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC1CC(CCC1N)C(=O)N(C)C.C(=O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C.C(=O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1210348-34-7

    2. Tert-butyl N-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate Oxalate

    3. Tert-butyl [(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate Oxalate

    4. Tert-butyl N-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic Acid

    5. Tert - Butyl [(1r,2s,5s) - 2 - Amino - 5 - [(dimethylamino)carbonyl]cyclohexyl]carbamate Oxalate

    6. Tert-butyl ((1r,2s,5s)-2-amino-5-((dimethylamino)carbonyl)cyclohexyl)carbamate Oxalate

    7. Tert-butyl {(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl}carbamate Oxalate

    8. Ethanediamide Impurity A

    9. Amy19407

    10. Cs-m3400

    11. Mfcd28501698

    12. Akos025289771

    13. Ds-7605

    14. Tert-butyl[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate Oxalate

    15. P15585

    16. A851763

    17. T-butyl {(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl}carbamate Oxalate

    18. Tert-butyl((1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamateoxalate

    19. Tert-butyl(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexylcarbamate Oxalate

    2.3 Create Date
    2010-10-18
    3 Chemical and Physical Properties
    Molecular Weight 375.42 g/mol
    Molecular Formula C16H29N3O7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass375.20055027 g/mol
    Monoisotopic Mass375.20055027 g/mol
    Topological Polar Surface Area159 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity435
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2