N,N-dimethyl-L-phenylalanine

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  • Identifiers

    CAS number
    17469-89-5

    Molecular formula
    C11H15NO2

    SMILES
    CN(C)[C@@H](CC1=CC=CC=C1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 52.12%
    Floral 38.34%
    Fruity 30.95%
    Odorless 27.17%
    Balsamic 26.88%
    Honey 26.6%
    Bitter 26.42%
    Citrus 25.22%
    Grape 24.52%
    Rose 23.97%

     

    Flavor
    Odorless 44.95%
    Mild 35.96%
    Bitter 31.51%
    Fruity 23.74%
    Bland 22.92%
    Nitrile 19.54%
    Sweet-like 19.36%
    Heather 19.36%
    Broom 19.13%
    Genet 18.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    7.54 (neutral)

    Molecular weight
    193.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 149.75 ˚C est.

  • Synonyms

    • N,N-Dimethyl-L-phenylalanine
    • 17469-89-5
    • L-Phenylalanine, N,N-dimethyl-
    • Phenylalanine, N,N-dimethyl-
    • (S)-2-(Dimethylamino)-3-phenylpropanoic acid
    • (2S)-2-(Dimethylamino)-3-Phenylpropanoic Acid
    • N,N-Dimethylphenylalanine
    • MFCD00082539
    • Alanine, N,N-dimethyl-3-phenyl-, L-
    • L-Phenylalanine,N,N-dimethyl-
    • N,N-Dimethyl-L-phenylalanine; L-N,N-dimethyl-3-phenyl-Alanine; N,N-Dimethyl-L-phenylalanine; N,N-Dimethylphenylalanine
    • (s)-2-dimethylamino-3-phenyl-propionic acid
    • SCHEMBL121728
    • N,N-Dimethyl-L-phenylalanine, 99%
    • AKOS015893954
    • DS-15082
    • DB-308827
    • CS-0151360
    • F10698
    • (2S)-2-(Dimethylamino)-3-phenyl-propanoic acid
    • EN300-7403896
    • N,N-Dimethyl-L-phenylalanine, puriss., >=99.0% (sum of enantiomers, HPLC)
    • 801-809-9

  • Applications

    N,N-dimethyl-L-phenylalanine (CAS 17469-89-5) is primarily used as a chiral building block and synthetic intermediate in medicinal chemistry. In pharmaceutical and biotech research, it serves as a precursor to peptidomimetics and other amino-acid-derived scaffolds, and as a substrate for asymmetric transformations that install or preserve stereochemistry. It is used in polymer and materials science as a monomer or handle for polypeptide-like materials and as a supporting element in library synthesis for lead optimization in drug discovery. However, use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.66
    methanol 142.52
    isopropanol 19.42
    water 27.16
    ethyl acetate 4.43
    n-propanol 36.63
    acetone 3.08
    n-butanol 18.49
    acetonitrile 5.69
    DMF 56.34
    toluene 2.94
    isobutanol 24.3
    1,4-dioxane 25.61
    methyl acetate 6.83
    THF 22.04
    2-butanone 4.7
    n-pentanol 14.47
    sec-butanol 16.37
    n-hexane 0.57
    ethylene glycol 118.17
    NMP 101.94
    cyclohexane 1.07
    DMSO 70.51
    n-butyl acetate 9.44
    n-octanol 7.43
    chloroform 33.33
    n-propyl acetate 6.33
    acetic acid 132.81
    dichloromethane 24.93
    cyclohexanone 30.11
    propylene glycol 85.76
    isopropyl acetate 3.46
    DMAc 74.33
    2-ethoxyethanol 48.54
    isopentanol 15.21
    n-heptane 0.79
    ethyl formate 12.73
    1,2-dichloroethane 15.01
    n-hexanol 28.54
    2-methoxyethanol 106.12
    isobutyl acetate 5.81
    tetrachloromethane 6.12
    n-pentyl acetate 5.68
    transcutol 80.23
    n-heptanol 15.66
    ethylbenzene 4.05
    MIBK 5.11
    2-propoxyethanol 55.47
    tert-butanol 27.17
    MTBE 4.01
    2-butoxyethanol 33.96
    propionic acid 64.06
    o-xylene 6.69
    formic acid 238.27
    diethyl ether 1.62
    m-xylene 5.97
    p-xylene 5.8
    chlorobenzene 9.58
    dimethyl carbonate 7.28
    n-octane 0.44
    formamide 162.56
    cyclopentanone 30.83
    2-pentanone 3.12
    anisole 9.75
    cyclopentyl methyl ether 10.83
    gamma-butyrolactone 58.29
    1-methoxy-2-propanol 50.48
    pyridine 20.73
    3-pentanone 3.87
    furfural 74.37
    n-dodecane 0.36
    diethylene glycol 90.84
    diisopropyl ether 1.22
    tert-amyl alcohol 23.41
    acetylacetone 8.02
    n-hexadecane 0.4
    acetophenone 17.36
    methyl propionate 7.84
    isopentyl acetate 11.45
    trichloroethylene 44.34
    n-nonanol 7.14
    cyclohexanol 23.86
    benzyl alcohol 22.79
    2-ethylhexanol 13.36
    isooctanol 12.6
    dipropyl ether 4.18
    1,2-dichlorobenzene 16.52
    ethyl lactate 17.66
    propylene carbonate 39.88
    n-methylformamide 58.07
    2-pentanol 7.53
    n-pentane 0.39
    1-propoxy-2-propanol 29.45
    1-methoxy-2-propyl acetate 17.21
    2-(2-methoxypropoxy) propanol 31.71
    mesitylene 4.92
    ε-caprolactone 35.19
    p-cymene 5.95
    epichlorohydrin 39.0
    1,1,1-trichloroethane 10.53
    2-aminoethanol 159.33
    morpholine-4-carbaldehyde 84.22
    sulfolane 108.52
    2,2,4-trimethylpentane 0.82
    2-methyltetrahydrofuran 14.84
    n-hexyl acetate 8.61
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 39.2
    sec-butyl acetate 4.44
    tert-butyl acetate 7.24
    decalin 1.27
    glycerin 154.94
    diglyme 55.41
    acrylic acid 79.58
    isopropyl myristate 4.14
    n-butyric acid 46.94
    acetyl acetate 6.36
    di(2-ethylhexyl) phthalate 12.51
    ethyl propionate 6.01
    nitromethane 62.56
    1,2-diethoxyethane 7.12
    benzonitrile 15.12
    trioctyl phosphate 8.16
    1-bromopropane 4.11
    gamma-valerolactone 64.7
    n-decanol 5.69
    triethyl phosphate 11.13
    4-methyl-2-pentanol 7.75
    propionitrile 7.12
    vinylene carbonate 39.8
    1,1,2-trichlorotrifluoroethane 102.74
    DMS 12.9
    cumene 5.12
    2-octanol 6.2
    2-hexanone 5.05
    octyl acetate 6.2
    limonene 6.82
    1,2-dimethoxyethane 31.18
    ethyl orthosilicate 10.19
    tributyl phosphate 8.45
    diacetone alcohol 24.47
    N,N-dimethylaniline 13.43
    acrylonitrile 15.62
    aniline 14.66
    1,3-propanediol 100.11
    bromobenzene 7.07
    dibromomethane 13.78
    1,1,2,2-tetrachloroethane 47.06
    2-methyl-cyclohexyl acetate 16.2
    tetrabutyl urea 13.02
    diisobutyl methanol 7.05
    2-phenylethanol 25.91
    styrene 3.61
    dioctyl adipate 9.37
    dimethyl sulfate 24.53
    ethyl butyrate 7.85
    methyl lactate 26.22
    butyl lactate 16.78
    diethyl carbonate 7.93
    propanediol butyl ether 34.55
    triethyl orthoformate 8.87
    p-tert-butyltoluene 5.63
    methyl 4-tert-butylbenzoate 24.62
    morpholine 38.48
    tert-butylamine 11.6
    n-dodecanol 4.51
    dimethoxymethane 14.43
    ethylene carbonate 29.78
    cyrene 50.69
    2-ethoxyethyl acetate 10.71
    2-ethylhexyl acetate 8.61
    1,2,4-trichlorobenzene 21.53
    4-methylpyridine 13.22
    dibutyl ether 2.3
    2,6-dimethyl-4-heptanol 7.05
    DEF 12.0
    dimethyl isosorbide 54.86
    tetrachloroethylene 41.85
    eugenol 32.51
    triacetin 15.23
    span 80 31.54
    1,4-butanediol 46.82
    1,1-dichloroethane 7.87
    2-methyl-1-pentanol 14.55
    methyl formate 33.33
    2-methyl-1-butanol 18.03
    n-decane 0.47
    butyronitrile 5.79
    3,7-dimethyl-1-octanol 8.53
    1-chlorooctane 2.23
    1-chlorotetradecane 1.25
    n-nonane 0.41
    undecane 0.41
    tert-butylcyclohexane 1.2
    cyclooctane 0.53
    cyclopentanol 31.12
    tetrahydropyran 9.63
    tert-amyl methyl ether 5.16
    2,5,8-trioxanonane 45.93
    1-hexene 1.79
    2-isopropoxyethanol 26.51
    2,2,2-trifluoroethanol 63.47
    methyl butyrate 9.64

    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