Acetylhistamine

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  • Identifiers

    CAS number
    673-49-4

    Molecular formula
    C7H11N3O

    SMILES
    CC(=O)NCCC1=CN=CN1

    Safety labels

  • Odor profile

    Fragrance
    Meaty 53.96%
    Odorless 46.87%
    Roasted 44.69%
    Savory 40.63%
    Cooked 33.62%
    Nutty 32.19%
    Popcorn 28.12%
    Fishy 26.19%
    Burnt 25.43%
    Cheesy 23.22%

     

    Flavor
    Odorless 48.44%
    Bitter 35.46%
    Mild 32.69%
    Roasted 29.85%
    Cooked 23.41%
    Bland 22.46%
    Nutty 21.75%
    Roast 21.5%
    Bread crust 21.24%
    Roasted peanuts 21.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    6.84 (neutral)

    Molecular weight
    153.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    434°C

    Flash point

    • 200.1 ˚C est.

    Solubility expt.

    • >23 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • N-Acetylhistamine
    • 673-49-4
    • N-omega-Acetylhistamine
    • Acetylhistamine
    • N-[2-(1H-Imidazol-4-yl)ethyl]acetamide
    • Acetamide, N-(2-imidazol-4-ylethyl)-
    • N-[2-(1H-imidazol-5-yl)ethyl]acetamide
    • 4-(2-acetamidoethyl)imidazole
    • alpha-N-acetylhistamine
    • 4-(2-acetylaminoethyl)imidazole
    • E65S46EBQ6
    • Acetamide, N-(2-(1H-imidazol-4-yl)ethyl)-
    • NSC-66356
    • N-(2-(1H-Imidazol-4-yl)ethyl)acetamide
    • CHEBI:28483
    • Acetamide, N-[2-(1H-imidazol-4-yl)ethyl]-
    • DTXSID40217670
    • N-(2-(1H-IMIDAZOL-5-YL)ETHYL)ACETAMIDE
    • RefChem:828910
    • DTXCID90140161
    • 211-610-3
    • Nomega-Acetylhistamine
    • N'-Acetylhistamine
    • N|O-Acetylhistamine
    • 4-(beta-Acetylaminoethyl)imidazole
    • N-.omega.-Acetylhistamine
    • N-(2-(Imidazol-4-yl)ethyl)acetamide
    • Imidazole C-4(5) deriv. 1
    • N-w-acetylhistamine (AH)
    • AHN
    • Acetamide, N-[2-(1H-imidazol-5-yl)ethyl]-
    • ACETAMIDE, N-(2-(1H-IMIDAZOL-5-YL)ETHYL)-
    • 2afw
    • N-[2-(1H-Imidazol-5-yl)ethyl]acetamide; N-[2-imidazol-4(or 5)-ylethyl]acetamide
    • EINECS 211-610-3
    • NSC 66356
    • Nalpha-acetylhistamine
    • omega-N-acetylhistamine
    • 3pb8
    • N-[2-(3H-imidazol-4-yl)ethyl]acetamide
    • N omega -Acetylhistamine
    • N.omega.-Acetylhistamine
    • N-Omega-acetyl-Histamine
    • Histamine, N-omega-acetyl-
    • UNII-E65S46EBQ6
    • MLS001074877
    • Nomega-Acetylhistamine, 98%
    • SCHEMBL514228
    • BDBM7949
    • orb1307024
    • CHEMBL1230893
    • SCHEMBL12999042
    • HMS2269C24
    • N-(2-imidazol-4-ylethyl)acetamide
    • NSC66356
    • imidazole, 4-(N-acetyl)aminoethyl-
    • CCG-55819
    • MFCD00005209
    • N-(2-Imidazol-4-ylethyl)-Acetamide
    • AKOS002808012
    • AKOS015902389
    • DB04622
    • EBC-382041
    • NCGC00247012-01
    • DA-66288
    • SMR000112242
    • HY-112175
    • N-[2-(1H-Imidazol-4-yl)ethyl]-Acetamide
    • CS-0043607
    • N-[2-(1H-Imidazol-4-yl)ethyl]acetamide #
    • n-[2-(3h-imidazol-4-yl)-ethyl]-acetamide
    • NS00014790
    • ST50307102
    • Acetamide, N-(2-imidazol-4-ylethyl)- (8CI)
    • C05135
    • G77275
    • Acetamide, {N-[2-(1H-imidazol-4-yl)ethyl]-}
    • SR-01000644822-1
    • Acetamide, N-(2-(1H-imidazol-4-yl)ethyl)- (9CI)
    • ACETAMIDE, N-(2-IMIDAZOL-4(OR 5)-YLETHYL)-
    • Q27095359
    • Z1203246098
    • N-(2-(1H-imidazol-4-yl)ethyl)acetamide (ACD/Name 4.0)
    • 2DB4E262-522E-4D06-80BE-314E0B8161C5
    • 673-49-4

  • Applications

    Acetylhistamine (CAS 673-49-4) is primarily used in analytical and biochemical research as a reference standard for LC-MS/MS and other chromatographic methods, and as a metabolite product of histamine acetylation in studies of histamine metabolism. It serves as a substrate or product in assays of histamine N-acetyltransferase activity and is an intermediate or building block in the synthesis of histamine-derived compounds for medicinal chemistry exploration. In metabolomics and clinical research, it is used as a reference compound or biomarker related to histamine pathways. In academic research, it functions as a chemical probe to study histaminergic mechanisms and may provide calibration material for analytical instrumentation in laboratories.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.32
    methanol 486.12
    isopropanol 70.19
    water 749.99
    ethyl acetate 16.16
    n-propanol 87.7
    acetone 48.4
    n-butanol 49.44
    acetonitrile 29.06
    DMF 1198.79
    toluene 2.83
    isobutanol 52.74
    1,4-dioxane 34.65
    methyl acetate 31.17
    THF 79.33
    2-butanone 34.8
    n-pentanol 30.39
    sec-butanol 47.05
    n-hexane 0.52
    ethylene glycol 230.34
    NMP 675.56
    cyclohexane 0.54
    DMSO 358.56
    n-butyl acetate 8.46
    n-octanol 5.64
    chloroform 14.54
    n-propyl acetate 9.39
    acetic acid 417.63
    dichloromethane 16.4
    cyclohexanone 53.64
    propylene glycol 225.92
    isopropyl acetate 8.57
    DMAc 873.74
    2-ethoxyethanol 132.17
    isopentanol 32.0
    n-heptane 0.4
    ethyl formate 41.26
    1,2-dichloroethane 8.56
    n-hexanol 12.2
    2-methoxyethanol 324.28
    isobutyl acetate 6.68
    tetrachloromethane 3.3
    n-pentyl acetate 6.59
    transcutol 148.33
    n-heptanol 6.63
    ethylbenzene 1.3
    MIBK 9.95
    2-propoxyethanol 59.29
    tert-butanol 44.55
    MTBE 10.22
    2-butoxyethanol 31.95
    propionic acid 148.12
    o-xylene 3.76
    formic acid 1014.22
    diethyl ether 7.67
    m-xylene 3.1
    p-xylene 2.78
    chlorobenzene 4.85
    dimethyl carbonate 25.9
    n-octane 0.17
    formamide 852.6
    cyclopentanone 95.16
    2-pentanone 18.56
    anisole 7.68
    cyclopentyl methyl ether 20.85
    gamma-butyrolactone 144.68
    1-methoxy-2-propanol 138.15
    pyridine 33.33
    3-pentanone 16.45
    furfural 152.32
    n-dodecane 0.16
    diethylene glycol 111.0
    diisopropyl ether 1.83
    tert-amyl alcohol 38.39
    acetylacetone 22.04
    n-hexadecane 0.18
    acetophenone 14.48
    methyl propionate 35.62
    isopentyl acetate 8.41
    trichloroethylene 21.4
    n-nonanol 5.29
    cyclohexanol 26.06
    benzyl alcohol 23.21
    2-ethylhexanol 5.16
    isooctanol 5.35
    dipropyl ether 4.04
    1,2-dichlorobenzene 5.44
    ethyl lactate 19.48
    propylene carbonate 54.43
    n-methylformamide 460.98
    2-pentanol 16.76
    n-pentane 0.56
    1-propoxy-2-propanol 29.61
    1-methoxy-2-propyl acetate 17.52
    2-(2-methoxypropoxy) propanol 39.34
    mesitylene 1.98
    ε-caprolactone 53.39
    p-cymene 1.82
    epichlorohydrin 65.76
    1,1,1-trichloroethane 5.76
    2-aminoethanol 298.65
    morpholine-4-carbaldehyde 286.31
    sulfolane 183.37
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 35.34
    n-hexyl acetate 9.16
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 47.13
    sec-butyl acetate 5.69
    tert-butyl acetate 8.8
    decalin 0.4
    glycerin 375.64
    diglyme 74.46
    acrylic acid 188.53
    isopropyl myristate 2.96
    n-butyric acid 87.41
    acetyl acetate 12.27
    di(2-ethylhexyl) phthalate 10.74
    ethyl propionate 8.18
    nitromethane 316.97
    1,2-diethoxyethane 12.21
    benzonitrile 15.33
    trioctyl phosphate 5.32
    1-bromopropane 3.57
    gamma-valerolactone 176.18
    n-decanol 3.62
    triethyl phosphate 7.1
    4-methyl-2-pentanol 8.09
    propionitrile 21.52
    vinylene carbonate 53.32
    1,1,2-trichlorotrifluoroethane 141.34
    DMS 15.13
    cumene 1.52
    2-octanol 3.53
    2-hexanone 9.98
    octyl acetate 5.21
    limonene 2.6
    1,2-dimethoxyethane 81.97
    ethyl orthosilicate 6.42
    tributyl phosphate 7.05
    diacetone alcohol 30.4
    N,N-dimethylaniline 9.15
    acrylonitrile 42.65
    aniline 18.5
    1,3-propanediol 205.6
    bromobenzene 2.78
    dibromomethane 6.6
    1,1,2,2-tetrachloroethane 18.12
    2-methyl-cyclohexyl acetate 8.25
    tetrabutyl urea 12.32
    diisobutyl methanol 2.89
    2-phenylethanol 12.03
    styrene 1.64
    dioctyl adipate 8.21
    dimethyl sulfate 71.91
    ethyl butyrate 6.79
    methyl lactate 65.43
    butyl lactate 16.1
    diethyl carbonate 6.17
    propanediol butyl ether 49.45
    triethyl orthoformate 7.52
    p-tert-butyltoluene 1.64
    methyl 4-tert-butylbenzoate 18.28
    morpholine 84.19
    tert-butylamine 13.94
    n-dodecanol 2.58
    dimethoxymethane 89.89
    ethylene carbonate 37.33
    cyrene 55.84
    2-ethoxyethyl acetate 14.36
    2-ethylhexyl acetate 6.32
    1,2,4-trichlorobenzene 8.85
    4-methylpyridine 29.48
    dibutyl ether 3.07
    2,6-dimethyl-4-heptanol 2.89
    DEF 74.14
    dimethyl isosorbide 42.43
    tetrachloroethylene 14.46
    eugenol 25.01
    triacetin 18.31
    span 80 27.98
    1,4-butanediol 98.4
    1,1-dichloroethane 6.55
    2-methyl-1-pentanol 22.85
    methyl formate 195.55
    2-methyl-1-butanol 38.3
    n-decane 0.25
    butyronitrile 19.23
    3,7-dimethyl-1-octanol 5.65
    1-chlorooctane 1.08
    1-chlorotetradecane 0.52
    n-nonane 0.22
    undecane 0.19
    tert-butylcyclohexane 0.38
    cyclooctane 0.22
    cyclopentanol 56.55
    tetrahydropyran 16.95
    tert-amyl methyl ether 10.23
    2,5,8-trioxanonane 56.87
    1-hexene 1.86
    2-isopropoxyethanol 51.49
    2,2,2-trifluoroethanol 185.4
    methyl butyrate 15.19

    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