Nipradilol

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  • Identifiers

    CAS number
    81486-22-8

    Molecular formula
    C15H22N2O6

    SMILES
    CC(C)NCC(COC1=CC=CC2=C1OCC(C2)O[N+](=O)[O-])O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.25%
    Savory 30.58%
    Cooling 26.47%
    Milky 22.7%
    Meaty 19.54%
    Sweet 18.29%
    Fishy 16.72%
    Mint 15.99%
    Alcoholic 15.89%
    Cooked 15.51%

     

    Flavor
    Bitter 51.15%
    Odorless 48.83%
    Bland 38.14%
    Mild 26.85%
    Sweet-like 24.71%
    Cedarleaf 19.14%
    Parsley 19.13%
    Very mild 18.89%
    Heather 18.55%
    Nitrile 18.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.54 (weak base)

    Molecular weight
    326.34 g/mol

    Flash point

    • 195.03 ˚C est.

  • Synonyms

    • Nipradilol
    • Nipradolol
    • 81486-22-8
    • Hypadil
    • Nipradilolum
    • FVM336I71Y
    • K-351
    • 8-(2-Hydroxy-3-(isopropylamino)propoxy)-3-chromanol, 3-nitrate
    • DTXSID30868615
    • 2H-1-Benzopyran-3-ol, 3,4-dihydro-8-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, 3-nitrate
    • RefChem:927789
    • DTXCID60816705
    • 3,4-dihydro-8-(2-hydroxy-3--isopropylaminopropoxy)-3-nitroxy-2H-1-benzopyran
    • Hypadil (TN)
    • [8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromen-3-yl] nitrate
    • Hypadil; K 351; KT 210; Nipradilo
    • 8-(2-Hydroxy-3-(isopropylamino)propoxy)chroman-3-yl nitrate
    • 8-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-3,4-dihydro-2H-1-benzopyran-3-yl nitrate
    • Nipradilolum [Latin]
    • Nipranol
    • Nipradilol [INN:JAN]
    • CCRIS 2515
    • K 351
    • BRN 3566879
    • UNII-FVM336I71Y
    • 8-(2-Hydroxy-3-(isopropylamino)propoxy)-3-chromanyl nitrat
    • NIPRADILOL [MI]
    • 8-(2-Hydroxy-3-(isopropylamino)propoxy)-3-chromanol 3-nitrate
    • Nipradilol (JAN/INN)
    • NIPRADILOL [INN]
    • NIPRADILOL [JAN]
    • 3,4-Dihydro-8-(2-hydroxy-3-isopropylamino)propoxy-3-nitroxy-2H-1-benzopyran
    • NIPRADILOL [MART.]
    • 3,4-Dihydro-8-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2H-1-benzopyran-3-ol 3-nitrate
    • 3,4-Dihydro-8-(2-hydroxy-3-(isopropylamino)propoxy)-2H-1-benzopyran-3-ol 3-nitrate
    • NIPRADOLOL [WHO-DD]
    • SCHEMBL48884
    • CHEMBL155622
    • orb1744447
    • SCHEMBL30582265
    • CHEBI:31682
    • OMCPLEZZPVJJIS-UHFFFAOYSA-N
    • GDA48622
    • EX-A10095
    • KT-210
    • AKOS016014067
    • HY-106523
    • CS-0025984
    • NS00124104
    • D01691
    • L013397
    • Q15634005
    • 3,4-dihydro-8-(2-hydroxy-3-isopropylaminopropoxy)-3-nitroxy-2h-1-benzopyran
    • 3-Nitroxy-8-[(2-hydroxy-3-isopropylamino)propoxy]-3,4(2H)-dihydro-1-benzopyran
    • 8-[2-Hydroxy-3-(isopropylamino)propoxy]-3,4-dihydro-2H-chromen-3-yl nitrate #
    • 81486-22-8

  • Applications

    Nipradilol (CAS 81486-22-8) is an organic compound that is considered for applications in pharmaceuticals and chemical synthesis. In practice, it may be used as an active pharmaceutical ingredient (API) or an intermediate for pharmaceutical synthesis; it may serve as a precursor for derivatives featuring a beta-blocker-like scaffold, providing a platform for medicinal chemistry research and the development of new analogues; it is also used as a building block for medicinal chemistry studies and related compound development; it can be used as an analytical reference material and standard in laboratories to support quality control; its use, however, depends on local regulatory requirements and formulation limits, and it may be employed as a specialty starting material in synthetic sequences for R&D.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.5
    methanol 45.23
    isopropanol 5.0
    water 8.05
    ethyl acetate 8.28
    n-propanol 7.29
    acetone 27.62
    n-butanol 6.04
    acetonitrile 9.86
    DMF 90.94
    toluene 0.86
    isobutanol 5.12
    1,4-dioxane 7.87
    methyl acetate 7.51
    THF 14.87
    2-butanone 12.6
    n-pentanol 5.38
    sec-butanol 4.81
    n-hexane 0.07
    ethylene glycol 31.33
    NMP 87.83
    cyclohexane 0.12
    DMSO 324.47
    n-butyl acetate 4.73
    n-octanol 4.34
    chloroform 10.74
    n-propyl acetate 5.31
    acetic acid 114.88
    dichloromethane 16.33
    cyclohexanone 22.28
    propylene glycol 21.95
    isopropyl acetate 5.78
    DMAc 144.75
    2-ethoxyethanol 36.5
    isopentanol 5.98
    n-heptane 0.14
    ethyl formate 10.37
    1,2-dichloroethane 11.82
    n-hexanol 3.93
    2-methoxyethanol 61.78
    isobutyl acetate 3.78
    tetrachloromethane 1.21
    n-pentyl acetate 5.66
    transcutol 103.76
    n-heptanol 4.67
    ethylbenzene 0.82
    MIBK 8.08
    2-propoxyethanol 25.43
    tert-butanol 6.4
    MTBE 1.93
    2-butoxyethanol 17.68
    propionic acid 22.18
    o-xylene 1.5
    formic acid 154.47
    diethyl ether 1.86
    m-xylene 1.52
    p-xylene 1.28
    chlorobenzene 2.14
    dimethyl carbonate 11.77
    n-octane 0.14
    formamide 130.87
    cyclopentanone 29.73
    2-pentanone 10.03
    anisole 3.17
    cyclopentyl methyl ether 4.29
    gamma-butyrolactone 41.21
    1-methoxy-2-propanol 34.9
    pyridine 6.78
    3-pentanone 8.17
    furfural 41.89
    n-dodecane 0.16
    diethylene glycol 49.37
    diisopropyl ether 0.89
    tert-amyl alcohol 6.45
    acetylacetone 29.18
    n-hexadecane 0.18
    acetophenone 9.43
    methyl propionate 11.45
    isopentyl acetate 5.77
    trichloroethylene 26.92
    n-nonanol 4.58
    cyclohexanol 5.17
    benzyl alcohol 8.21
    2-ethylhexanol 3.01
    isooctanol 4.29
    dipropyl ether 2.11
    1,2-dichlorobenzene 3.71
    ethyl lactate 13.6
    propylene carbonate 20.05
    n-methylformamide 44.89
    2-pentanol 3.14
    n-pentane 0.07
    1-propoxy-2-propanol 16.35
    1-methoxy-2-propyl acetate 14.19
    2-(2-methoxypropoxy) propanol 28.15
    mesitylene 1.22
    ε-caprolactone 20.6
    p-cymene 1.59
    epichlorohydrin 33.79
    1,1,1-trichloroethane 5.35
    2-aminoethanol 28.45
    morpholine-4-carbaldehyde 64.66
    sulfolane 94.84
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 5.29
    n-hexyl acetate 7.67
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 30.99
    sec-butyl acetate 3.63
    tert-butyl acetate 7.83
    decalin 0.15
    glycerin 58.63
    diglyme 53.38
    acrylic acid 34.14
    isopropyl myristate 3.58
    n-butyric acid 19.8
    acetyl acetate 12.7
    di(2-ethylhexyl) phthalate 8.51
    ethyl propionate 5.53
    nitromethane 125.84
    1,2-diethoxyethane 9.3
    benzonitrile 6.4
    trioctyl phosphate 5.91
    1-bromopropane 2.08
    gamma-valerolactone 53.79
    n-decanol 3.61
    triethyl phosphate 6.73
    4-methyl-2-pentanol 2.86
    propionitrile 5.21
    vinylene carbonate 20.28
    1,1,2-trichlorotrifluoroethane 62.74
    DMS 13.35
    cumene 1.02
    2-octanol 2.76
    2-hexanone 6.2
    octyl acetate 5.43
    limonene 1.89
    1,2-dimethoxyethane 27.46
    ethyl orthosilicate 5.48
    tributyl phosphate 6.86
    diacetone alcohol 23.17
    N,N-dimethylaniline 3.92
    acrylonitrile 11.75
    aniline 3.06
    1,3-propanediol 30.22
    bromobenzene 1.74
    dibromomethane 6.54
    1,1,2,2-tetrachloroethane 20.4
    2-methyl-cyclohexyl acetate 7.02
    tetrabutyl urea 11.36
    diisobutyl methanol 2.33
    2-phenylethanol 7.7
    styrene 0.8
    dioctyl adipate 8.84
    dimethyl sulfate 39.25
    ethyl butyrate 5.24
    methyl lactate 26.6
    butyl lactate 12.7
    diethyl carbonate 5.12
    propanediol butyl ether 24.5
    triethyl orthoformate 5.54
    p-tert-butyltoluene 1.51
    methyl 4-tert-butylbenzoate 17.31
    morpholine 12.92
    tert-butylamine 1.72
    n-dodecanol 2.63
    dimethoxymethane 29.22
    ethylene carbonate 14.54
    cyrene 35.77
    2-ethoxyethyl acetate 13.68
    2-ethylhexyl acetate 4.01
    1,2,4-trichlorobenzene 5.72
    4-methylpyridine 5.56
    dibutyl ether 2.31
    2,6-dimethyl-4-heptanol 2.33
    DEF 19.78
    dimethyl isosorbide 37.39
    tetrachloroethylene 12.45
    eugenol 18.89
    triacetin 22.28
    span 80 19.95
    1,4-butanediol 18.79
    1,1-dichloroethane 5.05
    2-methyl-1-pentanol 5.64
    methyl formate 37.18
    2-methyl-1-butanol 5.98
    n-decane 0.24
    butyronitrile 4.25
    3,7-dimethyl-1-octanol 4.65
    1-chlorooctane 1.32
    1-chlorotetradecane 0.65
    n-nonane 0.2
    undecane 0.2
    tert-butylcyclohexane 0.14
    cyclooctane 0.09
    cyclopentanol 6.28
    tetrahydropyran 2.92
    tert-amyl methyl ether 2.68
    2,5,8-trioxanonane 46.07
    1-hexene 0.36
    2-isopropoxyethanol 18.91
    2,2,2-trifluoroethanol 57.04
    methyl butyrate 7.84

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction