Imidazolylphenylethyl naphthylsulfonyl asparagine

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  • Identifiers

    CAS number
    1190428-65-9

    Molecular formula
    C25H26N4O5S

    SMILES
    C1CN=C(N1)C2=CC=C(C=C2)CCNC(=O)C[C@@H](C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.59%
    Savory 35.82%
    Cooked 30.24%
    Meaty 28.65%
    Roasted 21.2%
    Cooling 19.26%
    Bitter 18.81%
    Burnt 17.09%
    Milky 16.99%
    Pungent 16.59%

     

    Flavor
    Bitter 83.4%
    Odorless 41.35%
    Bland 26.2%
    Nitrile 20.25%
    Mild 19.83%
    Sweet-like 19.5%
    Cedarleaf 18.5%
    Yeast 18.17%
    Very strong 18.08%
    Indole 18.03%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.32 (neutral)

    Molecular weight
    494.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1765°C

    Flash point

    • 322.56 ˚C est.

  • Synonyms

    • Z75Y5P356H
    • Imidazolylphenylethyl naphthylsulfonyl asparagine
    • UNII-Z75Y5P356H
    • 1190428-65-9
    • L-Asparagine, N-(2-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)ethyl)-N2-(2-naphthalenylsulfonyl)-
    • Imidazolylphenylethyl naphthylsulfonyl asparagine [INCI]
    • Q27295100
    • 1190428-65-9

  • Applications

    Chemical name: Imidazolylphenylethyl naphthylsulfonyl asparagine; CAS number: 1190428-65-9. This Ns-protected amino acid derivative with an imidazole-containing side moiety is primarily used as a building block in peptide synthesis and medicinal chemistry, providing a protected amino group and a reactive handle for subsequent coupling. It may serve as an intermediate in drug-discovery workflows and in the preparation of peptide-like libraries or dipeptide analogs. In chemical biology, it can be employed for constructing protected or conjugated peptide constructs and for studying peptide-based interactions. In materials science, it could be explored as a functional spacer or monomer candidate for specialized polymer or coating formulations, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.99
    methanol 2.91
    isopropanol 0.33
    water 0.05
    ethyl acetate 0.25
    n-propanol 0.57
    acetone 0.76
    n-butanol 0.32
    acetonitrile 0.26
    DMF 35.55
    toluene 0.03
    isobutanol 0.2
    1,4-dioxane 1.36
    methyl acetate 0.52
    THF 4.54
    2-butanone 0.77
    n-pentanol 0.18
    sec-butanol 0.3
    n-hexane 0.0
    ethylene glycol 1.88
    NMP 24.28
    cyclohexane 0.0
    DMSO 15.28
    n-butyl acetate 0.15
    n-octanol 0.14
    chloroform 0.44
    n-propyl acetate 0.22
    acetic acid 5.32
    dichloromethane 0.57
    cyclohexanone 0.98
    propylene glycol 2.53
    isopropyl acetate 0.15
    DMAc 39.84
    2-ethoxyethanol 4.43
    isopentanol 0.17
    n-heptane 0.0
    ethyl formate 0.69
    1,2-dichloroethane 0.28
    n-hexanol 0.08
    2-methoxyethanol 14.43
    isobutyl acetate 0.08
    tetrachloromethane 0.04
    n-pentyl acetate 0.25
    transcutol 5.47
    n-heptanol 0.18
    ethylbenzene 0.02
    MIBK 0.14
    2-propoxyethanol 2.52
    tert-butanol 0.16
    MTBE 0.08
    2-butoxyethanol 2.05
    propionic acid 1.23
    o-xylene 0.03
    formic acid 11.69
    diethyl ether 0.11
    m-xylene 0.02
    p-xylene 0.03
    chlorobenzene 0.06
    dimethyl carbonate 1.36
    n-octane 0.0
    formamide 16.55
    cyclopentanone 3.76
    2-pentanone 0.36
    anisole 0.22
    cyclopentyl methyl ether 0.3
    gamma-butyrolactone 5.28
    1-methoxy-2-propanol 5.62
    pyridine 1.24
    3-pentanone 0.3
    furfural 6.24
    n-dodecane 0.0
    diethylene glycol 3.77
    diisopropyl ether 0.02
    tert-amyl alcohol 0.2
    acetylacetone 0.82
    n-hexadecane 0.0
    acetophenone 0.41
    methyl propionate 0.66
    isopentyl acetate 0.13
    trichloroethylene 1.0
    n-nonanol 0.16
    cyclohexanol 0.16
    benzyl alcohol 0.39
    2-ethylhexanol 0.05
    isooctanol 0.11
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.09
    ethyl lactate 0.74
    propylene carbonate 1.36
    n-methylformamide 9.98
    2-pentanol 0.12
    n-pentane 0.0
    1-propoxy-2-propanol 1.18
    1-methoxy-2-propyl acetate 0.61
    2-(2-methoxypropoxy) propanol 1.69
    mesitylene 0.01
    ε-caprolactone 1.28
    p-cymene 0.02
    epichlorohydrin 4.12
    1,1,1-trichloroethane 0.08
    2-aminoethanol 2.73
    morpholine-4-carbaldehyde 19.26
    sulfolane 11.21
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.59
    n-hexyl acetate 0.27
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.59
    sec-butyl acetate 0.11
    tert-butyl acetate 0.15
    decalin 0.0
    glycerin 9.58
    diglyme 6.2
    acrylic acid 2.46
    isopropyl myristate 0.08
    n-butyric acid 1.06
    acetyl acetate 0.22
    di(2-ethylhexyl) phthalate 0.21
    ethyl propionate 0.24
    nitromethane 9.97
    1,2-diethoxyethane 0.46
    benzonitrile 0.23
    trioctyl phosphate 0.12
    1-bromopropane 0.06
    gamma-valerolactone 12.78
    n-decanol 0.09
    triethyl phosphate 0.21
    4-methyl-2-pentanol 0.05
    propionitrile 0.24
    vinylene carbonate 1.53
    1,1,2-trichlorotrifluoroethane 9.69
    DMS 0.46
    cumene 0.02
    2-octanol 0.09
    2-hexanone 0.25
    octyl acetate 0.16
    limonene 0.02
    1,2-dimethoxyethane 5.17
    ethyl orthosilicate 0.18
    tributyl phosphate 0.15
    diacetone alcohol 0.78
    N,N-dimethylaniline 0.19
    acrylonitrile 0.7
    aniline 0.21
    1,3-propanediol 3.06
    bromobenzene 0.04
    dibromomethane 0.16
    1,1,2,2-tetrachloroethane 0.85
    2-methyl-cyclohexyl acetate 0.16
    tetrabutyl urea 0.38
    diisobutyl methanol 0.03
    2-phenylethanol 0.23
    styrene 0.03
    dioctyl adipate 0.23
    dimethyl sulfate 3.64
    ethyl butyrate 0.21
    methyl lactate 2.96
    butyl lactate 0.69
    diethyl carbonate 0.19
    propanediol butyl ether 1.99
    triethyl orthoformate 0.3
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.68
    morpholine 3.19
    tert-butylamine 0.04
    n-dodecanol 0.06
    dimethoxymethane 5.6
    ethylene carbonate 0.8
    cyrene 3.07
    2-ethoxyethyl acetate 0.74
    2-ethylhexyl acetate 0.09
    1,2,4-trichlorobenzene 0.18
    4-methylpyridine 0.52
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.03
    DEF 1.93
    dimethyl isosorbide 2.28
    tetrachloroethylene 0.52
    eugenol 1.18
    triacetin 0.75
    span 80 1.12
    1,4-butanediol 0.85
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 0.13
    methyl formate 5.14
    2-methyl-1-butanol 0.21
    n-decane 0.0
    butyronitrile 0.19
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.47
    tetrahydropyran 0.36
    tert-amyl methyl ether 0.11
    2,5,8-trioxanonane 3.66
    1-hexene 0.01
    2-isopropoxyethanol 1.24
    2,2,2-trifluoroethanol 2.41
    methyl butyrate 0.44

    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