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    DLinDMA

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 871258-12-7, 1,2-dilinoleyloxy-n,n-dimethyl-3-aminopropane, Bd8s7ll258, N,n-dimethyl-2,3-bis(((9z,12z)-octadeca-9,12-dien-1-yl)oxy)propan-1-amine, 1-propanamine, n,n-dimethyl-2,3-bis((9z,12z)-9,12-octadecadien-1-yloxy)-, N,n-dimethyl-2,3-bis((9z,12z)-octadeca-9,12-dienyloxy)propan-1-amine
    Molecular Formula
    C41H77NO2
    Molecular Weight
    616.1  g/mol
    InChI Key
    NFQBIAXADRDUGK-KWXKLSQISA-N
    FDA UNII
    BD8S7LL258
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N,N-dimethyl-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine
    2.1.2 InChI
    InChI=1S/C41H77NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-40-41(39-42(3)4)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,41H,5-12,17-18,23-40H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
    2.1.3 InChI Key
    NFQBIAXADRDUGK-KWXKLSQISA-N
    2.1.4 Canonical SMILES
    CCCCCC=CCC=CCCCCCCCCOCC(CN(C)C)OCCCCCCCCC=CCC=CCCCCC
    2.1.5 Isomeric SMILES
    CCCCC/C=C\C/C=C\CCCCCCCCOCC(CN(C)C)OCCCCCCCC/C=C\C/C=C\CCCCC
    2.2 Other Identifiers
    2.2.1 UNII
    BD8S7LL258
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,2-dilinoleyloxy-3-dimethylaminopropane

    2.3.2 Depositor-Supplied Synonyms

    1. 871258-12-7

    2. 1,2-dilinoleyloxy-n,n-dimethyl-3-aminopropane

    3. Bd8s7ll258

    4. N,n-dimethyl-2,3-bis(((9z,12z)-octadeca-9,12-dien-1-yl)oxy)propan-1-amine

    5. 1-propanamine, N,n-dimethyl-2,3-bis((9z,12z)-9,12-octadecadien-1-yloxy)-

    6. N,n-dimethyl-2,3-bis((9z,12z)-octadeca-9,12-dienyloxy)propan-1-amine

    7. N,n-dimethyl-2,3-bis[(9z,12z)-octadeca-9,12-dienyloxy]propan-1-amine

    8. Unii-bd8s7ll258

    9. Schembl164955

    10. Wjb25812

    11. N,n-dimethyl-2,3-bis[(9z,12z)-octadeca-9,12-dienoxy]propan-1-amine

    12. 1,2-dilinoleyloxy-3-dimethylaminopropane

    13. Hy-112757

    14. Cs-0063333

    15. E74884

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 616.1 g/mol
    Molecular Formula C41H77NO2
    XLogP314.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count35
    Exact Mass615.59543070 g/mol
    Monoisotopic Mass615.59543070 g/mol
    Topological Polar Surface Area21.7 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity651
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count4
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1