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    Chemistry

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    Also known as: 1446-61-3, (+)-dehydroabietylamine, Leelamine, Dehydroabiethylamine, ((1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine, Amine d
    Molecular Formula
    C20H31N
    Molecular Weight
    285.5  g/mol
    InChI Key
    JVVXZOOGOGPDRZ-SLFFLAALSA-N
    FDA UNII
    33289O147P
    Dehydroabietylamine
    1 2D Structure

    Dehydroabietylamine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
    2.1.2 InChI
    InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
    2.1.3 InChI Key
    JVVXZOOGOGPDRZ-SLFFLAALSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
    2.1.5 Isomeric SMILES
    CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C
    2.2 Other Identifiers
    2.2.1 UNII
    33289O147P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Leelamine

    2.3.2 Depositor-Supplied Synonyms

    1. 1446-61-3

    2. (+)-dehydroabietylamine

    3. Leelamine

    4. Dehydroabiethylamine

    5. ((1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine

    6. Amine D

    7. Chembl70488

    8. Nsc-2955

    9. 33289o147p

    10. 1-phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1r,4as,10ar)-

    11. Caswell No. 276

    12. Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-

    13. Lylamine

    14. Hsdb 5665

    15. Unii-33289o147p

    16. Einecs 215-899-7

    17. Epa Pesticide Chemical Code 004206

    18. Brn 3084620

    19. 13-isopropylpodocarpa-8,11,13-trien-15-amine

    20. Schembl27863

    21. Dehydroabietylamine (>80%)

    22. 4-12-00-03005 (beilstein Handbook Reference)

    23. Mls002207102

    24. Dtxsid2041834

    25. Chebi:93086

    26. Dehydroabietylamine [hsdb]

    27. Nsc2955

    28. (+)-dehydroabietylamine; >95%

    29. Nsc 2955

    30. Zinc3860856

    31. Bdbm50217007

    32. Akos015914070

    33. Cs-w005629

    34. Hy-w005629

    35. 1-phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1r-(1alpha,4abeta,10aalpha))-

    36. Ds-18554

    37. Smr001306713

    38. D1180

    39. D1588

    40. (+)-dehydroabietylamine, Technical Grade, 60%

    41. Podocarpa-8,13-trien-15-amine, 13-isopropyl-

    42. A884771

    43. W-108153

    44. Brd-k62289640-003-01-9

    45. Q15409408

    46. 1-phenanthrenemethanamine 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,(1r,4as,10ar)-

    47. 1-phenanthrenemethanamine,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1r-(1.alpha.,4a.beta.,10a.alpha.)]-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 285.5 g/mol
    Molecular Formula C20H31N
    XLogP35.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass285.245649993 g/mol
    Monoisotopic Mass285.245649993 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity376
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"DEHYDROABIETYLAMINE","year":"2021","qtr":"Q1","strtotime":1610044200,"product":"(+)-DEHYDROABIETYLAMINE","address":"NO.201, DEVAVRATA SECTOR 17,,VASHI , NAVI MUMBAI - 400705.","city":"NAVI MUMBAI,MAHARASHTRA","supplier":"ETD TRADING SHANGHAI ","supplierCountry":"CHINA","foreign_port":"SHANGHAI - PU DONG","customer":"SOLARA ACTIVE PHARMA SCIENCES","customerCountry":"INDIA","quantity":"4.00","actualQuantity":"4","unit":"KGS","unitRateFc":"230","totalValueFC":"930.9","currency":"USD","unitRateINR":"17020","date":"08-Jan-2021","totalValueINR":"68080","totalValueInUsd":"930.9","indian_port":"MADRAS AIR","hs_no":"29214990","bill_no":"2279110","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI - PU DONG","supplierAddress":"","customerAddress":"NO.201, DEVAVRATA SECTOR 17,,VASHI , NAVI MUMBAI - 400705."},{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q2","strtotime":1623954600,"product":"(+)-DEHYDROABIETYLAMINE","address":"NO.201, DEVAVRATA SECTOR 17,,VASHI , NAVI MUMBAI - 400705.","city":"NAVI MUMBAI,MAHARASHTRA","supplier":"CHANGZHOU JOYOUS CHEMICAL CO.,LTD","supplierCountry":"CHINA","foreign_port":"SHANGHAI - PU DONG","customer":"SOLARA ACTIVE PHARMA SCIENCES","customerCountry":"INDIA","quantity":"300.00","actualQuantity":"300","unit":"KGS","unitRateFc":"125","totalValueFC":"38012.1","currency":"USD","unitRateINR":"9318.8","date":"18-Jun-2021","totalValueINR":"2795625","totalValueInUsd":"38012.1","indian_port":"MADRAS AIR","hs_no":"29214990","bill_no":"4364901","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI - PU DONG","supplierAddress":"","customerAddress":"NO.201, DEVAVRATA SECTOR 17,,VASHI , NAVI MUMBAI - 400705."}]
    08-Jan-2021
    18-Jun-2021
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