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    CAS 81403-67-0
    Also known as: 81403-67-0, N-(3-(methylamino)propyl)tetrahydrofuran-2-carboxamide, Tetrahydrofuran-2-carboxylic acid (3-methylaminopropyl)amide, [(3-methylamino)propyl]tetrahydro-2-furancarboxamide, Tetrahydrofuran-2-carboxylic acid (3-methylamino-propyl)-amide, N-[3-(methylamino)propyl]tetrahydrofuran-2-carboxamide
    Molecular Formula
    C9H18N2O2
    Molecular Weight
    186.25  g/mol
    InChI Key
    AUXJTEANWWFSRR-UHFFFAOYSA-N
    1 2D Structure

    CAS 81403-67-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[3-(methylamino)propyl]oxolane-2-carboxamide
    2.1.2 InChI
    InChI=1S/C9H18N2O2/c1-10-5-3-6-11-9(12)8-4-2-7-13-8/h8,10H,2-7H2,1H3,(H,11,12)
    2.1.3 InChI Key
    AUXJTEANWWFSRR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNCCCNC(=O)C1CCCO1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 81403-67-0

    2. N-(3-(methylamino)propyl)tetrahydrofuran-2-carboxamide

    3. Tetrahydrofuran-2-carboxylic Acid (3-methylaminopropyl)amide

    4. [(3-methylamino)propyl]tetrahydro-2-furancarboxamide

    5. Tetrahydrofuran-2-carboxylic Acid (3-methylamino-propyl)-amide

    6. N-[3-(methylamino)propyl]tetrahydrofuran-2-carboxamide

    7. 2-furancarboxamide, Tetrahydro-n-[3-(methylamino)propyl]-

    8. Schembl4234473

    9. Dtxsid90441367

    10. Akos009618069

    11. Ft-0655664

    12. 403m670

    13. A840120

    14. Tetrahydro-n-[3-(methylamino)-propyl]-2-furancarboxamide

    15. Tetrahydro-n-[3-(methylamino)propyl]-2-furancarboxamide

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 186.25 g/mol
    Molecular Formula C9H18N2O2
    XLogP3-0.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass186.136827821 g/mol
    Monoisotopic Mass186.136827821 g/mol
    Topological Polar Surface Area50.4 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity162
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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        Synthokem Labs

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