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    Chemistry

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    Also known as: Vertosine, 68738-99-8, Schembl1401467, Einecs 272-124-5, Methyl anthranilate/2,4-dimethyl-3-cyclohexenylcarboxaldehyde, Methyl (3,5-dimethyl-3-cyclohexene-1-yl)methyleneanthranilate (schiff base)
    Molecular Formula
    C17H21NO2
    Molecular Weight
    271.35  g/mol
    InChI Key
    KDSJAOIHFZMUNK-SDNWHVSQSA-N
    Vertosine
    1 2D Structure

    Vertosine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-[[(E)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl]amino]benzoate
    2.1.2 InChI
    InChI=1S/C17H21NO2/c1-12-8-9-14(13(2)10-12)11-18-16-7-5-4-6-15(16)17(19)20-3/h4-7,10-11,13,18H,8-9H2,1-3H3/b14-11+
    2.1.3 InChI Key
    KDSJAOIHFZMUNK-SDNWHVSQSA-N
    2.1.4 Canonical SMILES
    CC1C=C(CCC1=CNC2=CC=CC=C2C(=O)OC)C
    2.1.5 Isomeric SMILES
    CC\1C=C(CC/C1=C\NC2=CC=CC=C2C(=O)OC)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Vertosine

    2. 68738-99-8

    3. Schembl1401467

    4. Einecs 272-124-5

    5. Methyl Anthranilate/2,4-dimethyl-3-cyclohexenylcarboxaldehyde

    6. Methyl (3,5-dimethyl-3-cyclohexene-1-yl)methyleneanthranilate (schiff Base)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 271.35 g/mol
    Molecular Formula C17H21NO2
    XLogP33.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass271.157228913 g/mol
    Monoisotopic Mass271.157228913 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity411
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"VERTOSINE","year":"2021","qtr":"Q2","strtotime":1619375400,"product":"VERTOSINE","address":"140, OLD MAHABALIPURAM ROAD,SEMMENCHERRY VILLAGE,","city":"CHENNAI, TAMIL NADU.","supplier":"SYMRISE","supplierCountry":"GERMANY","foreign_port":"BREMERHAVEN","customer":"SYMRISE","customerCountry":"INDIA","quantity":"200.00","actualQuantity":"200","unit":"KGS","unitRateFc":"13.2","totalValueFC":"2716.5","currency":"USD","unitRateINR":"1011.2","date":"26-Apr-2021","totalValueINR":"202243.87","totalValueInUsd":"2716.5","indian_port":"MADRAS SEA","hs_no":"29225090","bill_no":"3707152","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"BREMERHAVEN","supplierAddress":"","customerAddress":"140, OLD MAHABALIPURAM ROAD,SEMMENCHERRY VILLAGE,"},{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q4","strtotime":1636741800,"product":"VERTOSINE (RAW 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NADU","supplier":"SYMRISE","supplierCountry":"GERMANY","foreign_port":"NA","customer":"SYMRISE","customerCountry":"INDIA","quantity":"50.00","actualQuantity":"50","unit":"KGS","unitRateFc":"15.9","totalValueFC":"961","currency":"USD","unitRateINR":"1528.3","date":"19-Jul-2022","totalValueINR":"76412.53","totalValueInUsd":"961","indian_port":"MADRAS AIR","hs_no":"29225090","bill_no":"9621322","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"140, OLD MAHABALIPURAM ROAD,,SEMME NCHERRY VILLAGE,"},{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q3","strtotime":1661106600,"product":"VERTOSINE","address":"140, OLD MAHABALIPURAM ROAD,,SEMME NCHERRY VILLAGE,","city":"CHENNAI,TAMIL 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NADU.","supplier":"SYMRISE","supplierCountry":"GERMANY","foreign_port":"HANNOVER","customer":"SYMRISE","customerCountry":"INDIA","quantity":"50.00","actualQuantity":"50","unit":"KGS","unitRateFc":"13.6","totalValueFC":"703.5","currency":"USD","unitRateINR":"1167.4","date":"28-Feb-2024","totalValueINR":"58369.06","totalValueInUsd":"703.5","indian_port":"Madras Air","hs_no":"29225090","bill_no":"2349888","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"HANNOVER","supplierAddress":"MUEHLENFELDSTRASSE 137603 HOLZMINDENGERMANY GERMANY","customerAddress":"140, OLD MAHABALIPURAM ROAD,"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1725906600,"product":"1000386 VERTOSINE (RAW MATERIALS FOR FRAGRANCE INDUSTRY)","address":"802, KAMLA HUB, PLOT NO 53, NR,COS","city":"MUMBAI,MAHARASHTRA","supplier":"EUROFRAGANCE S.L.U.","supplierCountry":"SPAIN","foreign_port":"BARCELONA","customer":"EUROFRAGANCE INDIA PRIVATE LIMITED","customerCountry":"INDIA","quantity":"0.10","actualQuantity":"0.1","unit":"KGS","unitRateFc":"44.5","totalValueFC":"4.5","currency":"USD","unitRateINR":"3797.2","date":"10-Sep-2024","totalValueINR":"379.72","totalValueInUsd":"4.5","indian_port":"JNPT","hs_no":"29162090","bill_no":"5522783","productDescription":"API","marketType":"REGULATED MARKET","country":"SPAIN","selfForZScoreResived":"Pharma Grade","supplierPort":"BARCELONA","supplierAddress":"CENTRO DE PRODUCCION MANUFACTURING PLANT Pol Industrial La Llana Pla?a de la Verneda 3 08191 Rub? Barcelo Spain Spain","customerAddress":"802, KAMLA HUB, PLOT NO 53, NR,COS"}]
    26-Apr-2021
    10-Sep-2024
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