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    CAS 82586-71-8

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    CAS 82586-71-8
    Also known as: 82586-71-8, 2-dimethylaminomethyl-4-thiazolylmethylchloride hydrochloride, 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-n,n-dimethylmethanamine;hydrochloride, N-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}-n,n-dimethylamine hydrochloride, 906649-81-8, 2-dimethyl amino methyl-4-chloro methyl thiazole hcl
    Molecular Formula
    C7H12Cl2N2S
    Molecular Weight
    227.15  g/mol
    InChI Key
    VJJZXQCIDAQYNQ-UHFFFAOYSA-N
    1 2D Structure

    CAS 82586-71-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H11ClN2S.ClH/c1-10(2)4-7-9-6(3-8)5-11-7;/h5H,3-4H2,1-2H3;1H
    2.1.3 InChI Key
    VJJZXQCIDAQYNQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CC1=NC(=CS1)CCl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 82586-71-8

    2. 2-dimethylaminomethyl-4-thiazolylmethylchloride Hydrochloride

    3. 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-n,n-dimethylmethanamine;hydrochloride

    4. N-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}-n,n-dimethylamine Hydrochloride

    5. 906649-81-8

    6. 2-dimethyl Amino Methyl-4-chloro Methyl Thiazole Hcl

    7. N-{[4-(chloromethyl)-1,3-thiazol-2-yl)methyl}-n,n-dimethylamine Hydrochloride

    8. Schembl906768

    9. Dtxsid20519508

    10. Vjjzxqcidaqynq-uhfffaoysa-n

    11. Mfcd07787539

    12. Ft-0754606

    13. 4-chloromethyl-2-dimethylaminomethylthiazole, Hydrochloride

    14. {[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}dimethylamine Hydrochloride

    15. 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-n,n-dimethylmethanamine--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 227.15 g/mol
    Molecular Formula C7H12Cl2N2S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area44.4
    Heavy Atom Count12
    Formal Charge0
    Complexity121
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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