Prolyl histamine hydrochloride

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  • Identifiers

    CAS number
    179308-53-3

    Molecular formula
    C10H18Cl2N4O

    SMILES
    C1C[C@H](NC1)C(=O)NCCC2=CN=CN2.Cl.Cl

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.19%
    Fishy 38.01%
    Meaty 36.55%
    Savory 35.27%
    Roasted 32.26%
    Nutty 28.19%
    Popcorn 28.17%
    Cooked 26.9%
    Cooling 20.26%
    Cheesy 18.86%

     

    Flavor
    Bitter 79.64%
    Odorless 38.54%
    Bland 26.0%
    Roasted 21.71%
    Sweet-like 21.49%
    Cereal 19.52%
    Alkaline 19.23%
    Nitrile 19.2%
    Cedarleaf 19.16%
    Scallion 18.95%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.09 (neutral)

    Molecular weight
    281.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    449°C

    Flash point

    • 227.46 ˚C est.

  • Synonyms

    • Prolyl histamine hydrochloride
    • Prolyl histamine HCl
    • Prolylhistamine (2HCl)
    • UNII-IML55D108L
    • Prolyl histamine HCl [INCI]
    • IML55D108L
    • 179308-53-3
    • 2-Pyrrolidinecarboxamide, N-(2-(1H-imidazol-4-yl)ethyl)-, dihydrochloride, (2S)
    • DTXSID20170794
    • RefChem:176206
    • DTXCID8093285
    • 2-Pyrrolidinecarboxamide, N-(2-(1H-imidazol-4-yl)ethyl)-, dihydrochloride, (2S)-
    • OCASMTZDEUOLQA-WWPIYYJJSA-N
    • Q27280797
    • N-[2-(1H-Imidazol-5-yl)ethyl]-L-prolinamide--hydrogen chloride (1/2)
    • 179308-53-3

  • Applications

    Prolyl histamine hydrochloride (CAS 179308-53-3) is primarily used in pharmaceutical and biochemical research as a histamine receptor ligand, serving as a tool compound in in vitro studies to probe histamine receptor function and GPCR signaling pathways. It is often employed as a synthetic intermediate or building block for histamine-related derivatives in medicinal chemistry programs; in chemical biology, it supports receptor-ligand interaction experiments and assay development. In analytical chemistry, it can function as a reference compound or standard for assay calibration and method development (e.g., LC-MS/HPLC analyses of histamine and related derivatives). It is commonly used in academic and industrial laboratories as a research reagent to explore histamine biology and ligand design.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.96
    methanol 193.14
    isopropanol 12.55
    water 81.54
    ethyl acetate 4.25
    n-propanol 21.52
    acetone 8.13
    n-butanol 16.27
    acetonitrile 5.07
    DMF 177.15
    toluene 0.8
    isobutanol 14.37
    1,4-dioxane 4.45
    methyl acetate 3.72
    THF 15.45
    2-butanone 7.12
    n-pentanol 13.25
    sec-butanol 9.61
    n-hexane 0.1
    ethylene glycol 95.76
    NMP 121.58
    cyclohexane 0.08
    DMSO 184.24
    n-butyl acetate 4.33
    n-octanol 3.08
    chloroform 11.34
    n-propyl acetate 4.36
    acetic acid 182.37
    dichloromethane 11.76
    cyclohexanone 18.99
    propylene glycol 95.2
    isopropyl acetate 3.32
    DMAc 146.44
    2-ethoxyethanol 67.38
    isopentanol 12.81
    n-heptane 0.12
    ethyl formate 15.02
    1,2-dichloroethane 5.4
    n-hexanol 6.52
    2-methoxyethanol 149.02
    isobutyl acetate 3.67
    tetrachloromethane 1.3
    n-pentyl acetate 4.05
    transcutol 85.45
    n-heptanol 4.91
    ethylbenzene 0.57
    MIBK 5.19
    2-propoxyethanol 38.57
    tert-butanol 7.54
    MTBE 1.38
    2-butoxyethanol 25.0
    propionic acid 40.98
    o-xylene 1.06
    formic acid 577.15
    diethyl ether 1.13
    m-xylene 1.25
    p-xylene 1.05
    chlorobenzene 2.73
    dimethyl carbonate 6.27
    n-octane 0.08
    formamide 430.58
    cyclopentanone 29.34
    2-pentanone 6.63
    anisole 2.21
    cyclopentyl methyl ether 4.38
    gamma-butyrolactone 44.84
    1-methoxy-2-propanol 68.87
    pyridine 11.27
    3-pentanone 4.26
    furfural 76.35
    n-dodecane 0.09
    diethylene glycol 77.43
    diisopropyl ether 0.51
    tert-amyl alcohol 8.41
    acetylacetone 10.03
    n-hexadecane 0.1
    acetophenone 6.76
    methyl propionate 7.35
    isopentyl acetate 4.87
    trichloroethylene 17.05
    n-nonanol 3.18
    cyclohexanol 6.99
    benzyl alcohol 12.57
    2-ethylhexanol 3.16
    isooctanol 4.4
    dipropyl ether 1.31
    1,2-dichlorobenzene 3.51
    ethyl lactate 14.41
    propylene carbonate 22.69
    n-methylformamide 131.86
    2-pentanol 5.72
    n-pentane 0.1
    1-propoxy-2-propanol 17.92
    1-methoxy-2-propyl acetate 9.45
    2-(2-methoxypropoxy) propanol 24.2
    mesitylene 0.93
    ε-caprolactone 21.15
    p-cymene 1.04
    epichlorohydrin 30.54
    1,1,1-trichloroethane 2.53
    2-aminoethanol 128.19
    morpholine-4-carbaldehyde 79.02
    sulfolane 78.2
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 5.62
    n-hexyl acetate 4.79
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 30.44
    sec-butyl acetate 2.62
    tert-butyl acetate 3.43
    decalin 0.13
    glycerin 208.79
    diglyme 39.81
    acrylic acid 69.41
    isopropyl myristate 1.77
    n-butyric acid 44.8
    acetyl acetate 4.3
    di(2-ethylhexyl) phthalate 7.51
    ethyl propionate 3.3
    nitromethane 115.78
    1,2-diethoxyethane 4.26
    benzonitrile 9.25
    trioctyl phosphate 4.25
    1-bromopropane 1.56
    gamma-valerolactone 74.14
    n-decanol 2.3
    triethyl phosphate 3.84
    4-methyl-2-pentanol 4.17
    propionitrile 4.58
    vinylene carbonate 24.33
    1,1,2-trichlorotrifluoroethane 91.62
    DMS 6.24
    cumene 0.78
    2-octanol 2.36
    2-hexanone 4.92
    octyl acetate 2.88
    limonene 1.24
    1,2-dimethoxyethane 21.44
    ethyl orthosilicate 3.29
    tributyl phosphate 4.9
    diacetone alcohol 14.53
    N,N-dimethylaniline 2.92
    acrylonitrile 13.08
    aniline 5.9
    1,3-propanediol 102.86
    bromobenzene 1.72
    dibromomethane 4.37
    1,1,2,2-tetrachloroethane 12.55
    2-methyl-cyclohexyl acetate 4.57
    tetrabutyl urea 7.38
    diisobutyl methanol 1.84
    2-phenylethanol 9.25
    styrene 0.68
    dioctyl adipate 4.4
    dimethyl sulfate 21.77
    ethyl butyrate 3.69
    methyl lactate 32.38
    butyl lactate 12.76
    diethyl carbonate 3.0
    propanediol butyl ether 36.56
    triethyl orthoformate 3.78
    p-tert-butyltoluene 0.93
    methyl 4-tert-butylbenzoate 11.16
    morpholine 13.83
    tert-butylamine 2.19
    n-dodecanol 1.62
    dimethoxymethane 21.03
    ethylene carbonate 15.8
    cyrene 39.07
    2-ethoxyethyl acetate 8.06
    2-ethylhexyl acetate 3.44
    1,2,4-trichlorobenzene 4.99
    4-methylpyridine 8.13
    dibutyl ether 1.17
    2,6-dimethyl-4-heptanol 1.84
    DEF 17.67
    dimethyl isosorbide 24.96
    tetrachloroethylene 9.54
    eugenol 19.58
    triacetin 10.96
    span 80 21.16
    1,4-butanediol 56.07
    1,1-dichloroethane 3.02
    2-methyl-1-pentanol 10.4
    methyl formate 59.48
    2-methyl-1-butanol 13.11
    n-decane 0.13
    butyronitrile 5.88
    3,7-dimethyl-1-octanol 3.64
    1-chlorooctane 0.63
    1-chlorotetradecane 0.31
    n-nonane 0.1
    undecane 0.11
    tert-butylcyclohexane 0.13
    cyclooctane 0.06
    cyclopentanol 12.7
    tetrahydropyran 2.6
    tert-amyl methyl ether 1.86
    2,5,8-trioxanonane 30.88
    1-hexene 0.47
    2-isopropoxyethanol 26.4
    2,2,2-trifluoroethanol 87.9
    methyl butyrate 6.54

    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