Ethylargininoate acetamidomethionamide hydrochloride

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  • Identifiers

    CAS number
    1000617-89-9

    Molecular formula
    C15H30ClN5O4S

    SMILES
    CCOC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)C.Cl

    Safety labels

  • Odor profile

    Fragrance
    Meaty 48.63%
    Savory 45.48%
    Odorless 42.99%
    Roasted 29.93%
    Cooked 27.51%
    Cooling 27.3%
    Fishy 23.25%
    Sweet 21.96%
    Beefy 19.57%
    Milky 19.47%

     

    Flavor
    Odorless 42.85%
    Bitter 42.1%
    Bland 30.73%
    Mild 27.06%
    Roasted 22.81%
    Cooked 22.33%
    Sweet-like 21.22%
    Taco 19.89%
    Nitrile 19.8%
    Yeast 19.61%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.9 (neutral)

    Molecular weight
    411.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    741°C

    Flash point

    • 221.63 ˚C est.

  • Synonyms

    • Ethylargininoate acetamidomethionamide hydrochloride
    • UNII-13HE2K52B3
    • Ethylargininoate acetamidomethionamide HCl
    • 13HE2K52B3
    • 1000617-89-9
    • L-Arginine, N-acetyl-L-methionyl-, ethyl ester, hydrochloride (1:1)
    • DTXSID80142896
    • RefChem:139100
    • DTXCID2065387
    • ETHYLARGININOATE ACETAMIDOMETHIONAMIDE HCL [INCI]
    • Q27251519
    • Ethyl N-acetyl-L-methionyl-N~5~-(diaminomethylidene)-L-ornithinate--hydrogen chloride (1/1)
    • 1000617-89-9

  • Applications

    Ethylargininoate acetamidomethionamide hydrochloride is typically used as a chemical intermediate and building block in organic synthesis, particularly in medicinal chemistry for constructing arginine-containing motifs in small molecules. It may be used in pharmaceutical research and development as a precursor or coupling partner in synthetic routes, and its hydrochloride salt form improves water solubility and handling for solution-phase processes. In addition, it can serve as a reagent or protected derivative in amino acid or peptide chemistry workflows, and it is commonly evaluated in process development and scale-up efforts within industrial or contract research settings as a specialty intermediate for drug candidates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.14
    methanol 24.69
    isopropanol 1.57
    water 53.62
    ethyl acetate 1.12
    n-propanol 3.06
    acetone 2.77
    n-butanol 1.58
    acetonitrile 1.81
    DMF 55.87
    toluene 0.6
    isobutanol 1.4
    1,4-dioxane 2.5
    methyl acetate 1.48
    THF 5.41
    2-butanone 2.14
    n-pentanol 1.86
    sec-butanol 1.32
    n-hexane 0.13
    ethylene glycol 17.77
    NMP 97.12
    cyclohexane 0.15
    DMSO 124.18
    n-butyl acetate 0.9
    n-octanol 0.41
    chloroform 2.54
    n-propyl acetate 1.21
    acetic acid 70.33
    dichloromethane 3.5
    cyclohexanone 8.02
    propylene glycol 15.49
    isopropyl acetate 0.75
    DMAc 73.1
    2-ethoxyethanol 15.09
    isopentanol 1.04
    n-heptane 0.06
    ethyl formate 5.01
    1,2-dichloroethane 2.28
    n-hexanol 0.8
    2-methoxyethanol 29.0
    isobutyl acetate 0.67
    tetrachloromethane 0.65
    n-pentyl acetate 0.8
    transcutol 16.03
    n-heptanol 0.67
    ethylbenzene 0.4
    MIBK 0.87
    2-propoxyethanol 7.02
    tert-butanol 1.07
    MTBE 0.31
    2-butoxyethanol 5.04
    propionic acid 9.91
    o-xylene 0.59
    formic acid 183.91
    diethyl ether 0.44
    m-xylene 0.4
    p-xylene 0.67
    chlorobenzene 0.91
    dimethyl carbonate 3.09
    n-octane 0.05
    formamide 125.13
    cyclopentanone 11.18
    2-pentanone 1.39
    anisole 0.95
    cyclopentyl methyl ether 1.7
    gamma-butyrolactone 19.93
    1-methoxy-2-propanol 9.76
    pyridine 5.19
    3-pentanone 1.47
    furfural 33.2
    n-dodecane 0.03
    diethylene glycol 16.46
    diisopropyl ether 0.13
    tert-amyl alcohol 1.2
    acetylacetone 3.43
    n-hexadecane 0.03
    acetophenone 2.74
    methyl propionate 2.11
    isopentyl acetate 0.84
    trichloroethylene 4.81
    n-nonanol 0.43
    cyclohexanol 1.83
    benzyl alcohol 3.58
    2-ethylhexanol 0.44
    isooctanol 0.47
    dipropyl ether 0.45
    1,2-dichlorobenzene 1.14
    ethyl lactate 3.31
    propylene carbonate 9.67
    n-methylformamide 31.57
    2-pentanol 0.57
    n-pentane 0.08
    1-propoxy-2-propanol 3.15
    1-methoxy-2-propyl acetate 2.18
    2-(2-methoxypropoxy) propanol 5.31
    mesitylene 0.27
    ε-caprolactone 8.73
    p-cymene 0.27
    epichlorohydrin 9.67
    1,1,1-trichloroethane 1.08
    2-aminoethanol 20.74
    morpholine-4-carbaldehyde 41.15
    sulfolane 64.53
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 2.17
    n-hexyl acetate 0.8
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.83
    sec-butyl acetate 0.63
    tert-butyl acetate 0.76
    decalin 0.08
    glycerin 47.6
    diglyme 11.9
    acrylic acid 19.65
    isopropyl myristate 0.28
    n-butyric acid 7.65
    acetyl acetate 1.7
    di(2-ethylhexyl) phthalate 1.35
    ethyl propionate 1.14
    nitromethane 39.68
    1,2-diethoxyethane 1.19
    benzonitrile 2.3
    trioctyl phosphate 0.75
    1-bromopropane 0.65
    gamma-valerolactone 35.34
    n-decanol 0.32
    triethyl phosphate 1.32
    4-methyl-2-pentanol 0.34
    propionitrile 1.3
    vinylene carbonate 10.82
    1,1,2-trichlorotrifluoroethane 37.09
    DMS 1.83
    cumene 0.33
    2-octanol 0.32
    2-hexanone 1.37
    octyl acetate 0.49
    limonene 0.3
    1,2-dimethoxyethane 9.09
    ethyl orthosilicate 1.07
    tributyl phosphate 0.95
    diacetone alcohol 3.37
    N,N-dimethylaniline 1.34
    acrylonitrile 3.23
    aniline 2.14
    1,3-propanediol 14.6
    bromobenzene 0.67
    dibromomethane 1.73
    1,1,2,2-tetrachloroethane 4.33
    2-methyl-cyclohexyl acetate 1.18
    tetrabutyl urea 1.94
    diisobutyl methanol 0.22
    2-phenylethanol 1.84
    styrene 0.46
    dioctyl adipate 0.96
    dimethyl sulfate 12.78
    ethyl butyrate 0.98
    methyl lactate 8.81
    butyl lactate 2.74
    diethyl carbonate 0.92
    propanediol butyl ether 6.59
    triethyl orthoformate 1.12
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 2.97
    morpholine 5.79
    tert-butylamine 0.37
    n-dodecanol 0.23
    dimethoxymethane 6.64
    ethylene carbonate 6.87
    cyrene 14.92
    2-ethoxyethyl acetate 1.77
    2-ethylhexyl acetate 0.65
    1,2,4-trichlorobenzene 1.69
    4-methylpyridine 3.74
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 0.22
    DEF 5.33
    dimethyl isosorbide 9.05
    tetrachloroethylene 3.75
    eugenol 4.63
    triacetin 2.65
    span 80 4.0
    1,4-butanediol 8.62
    1,1-dichloroethane 1.02
    2-methyl-1-pentanol 1.33
    methyl formate 20.99
    2-methyl-1-butanol 1.23
    n-decane 0.05
    butyronitrile 1.17
    3,7-dimethyl-1-octanol 0.31
    1-chlorooctane 0.17
    1-chlorotetradecane 0.07
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.05
    cyclooctane 0.06
    cyclopentanol 3.51
    tetrahydropyran 1.37
    tert-amyl methyl ether 0.44
    2,5,8-trioxanonane 9.2
    1-hexene 0.38
    2-isopropoxyethanol 5.01
    2,2,2-trifluoroethanol 33.9
    methyl butyrate 2.06

    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