Aminopyrazine

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  • Identifiers

    CAS number
    5049-61-6

    Molecular formula
    C4H5N3

    SMILES
    C1=CN=C(C=N1)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 71.98%
    Roasted 69.17%
    Meaty 52.23%
    Cocoa 45.99%
    Hazelnut 43.9%
    Burnt 43.09%
    Coffee 41.84%
    Musty 41.4%
    Popcorn 40.72%
    Potato 33.89%

     

    Flavor
    Nutty 63.33%
    Roasted 55.66%
    Coffee 47.47%
    Bitter 44.98%
    Cocoa 44.13%
    Chocolate 38.81%
    Roast 37.97%
    Popcorn 37.13%
    Peanut 36.62%
    Hazelnut 36.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    4.61 (weak acid)

    Molecular weight
    95.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 133.51 ˚C est.

  • Synonyms

    • 2-Aminopyrazine
    • 5049-61-6
    • Aminopyrazine
    • Pyrazinamine
    • ES73FRK6MY
    • NSC-13147
    • DTXSID80198510
    • RefChem:465193
    • DTXCID40121001
    • 225-748-7
    • pyrazin-2-amine
    • 2-Pyrazinamine
    • pyrazin-2-ylamine
    • MFCD00006137
    • Pyrazine, 2-amino-
    • AMINO PYRAZINE
    • CHEMBL1834089
    • ENT 60202
    • iminopyrazine
    • pyrazineamine
    • amino-pyrazine
    • Pyrazinamine-
    • Pyrazine amine
    • 2-aminopyrazin
    • 2 -aminopyrazine
    • 2-amino pyrazine
    • 2-amino-pyrazine
    • pyrazine-2-amine
    • Pyrazine, amino-
    • Pyrazine, 1,2-dihydro-2-imino-
    • 2-Pyrazinamine #
    • pyrazine-2-ylamine
    • EINECS 225-748-7
    • Pyrazin-2-yl-amine
    • Aminopyrazine, 98%
    • 3-AMINOPYRAZINE
    • AI3-60202
    • UNII-ES73FRK6MY
    • SCHEMBL29032
    • 1,2-Dihydro-2-iminopyrazine
    • Pyrazine,2-dihydro-2-imino-
    • SCHEMBL152044
    • SCHEMBL295729
    • SCHEMBL432791
    • SCHEMBL558752
    • SCHEMBL747516
    • orb1819300
    • SCHEMBL2959998
    • SCHEMBL30029374
    • CHEBI:194609
    • BB_SC-12891
    • CS-D1606
    • NSC13147
    • BDBM50354830
    • CL4536
    • EBC-03931
    • NSC 13147
    • SBB004388
    • STL137799
    • AKOS000120229
    • PB30528
    • PS-9353
    • NCGC00188272-01
    • AC-23436
    • BP-21335
    • HY-34068
    • PD020349
    • SY001512
    • DB-022479
    • A0989
    • NS00032070
    • EN300-17193
    • AC-907/25014024
    • F043480
    • Z56899063
    • F2169-0758
    • InChI=1/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7
    • 5049-61-6

  • Applications

    Aminopyrazine (CAS 5049-61-6) is primarily used as a chemical building block in pharmaceutical synthesis, where it serves as an intermediate for the preparation of heterocyclic compounds and potential active pharmaceutical ingredients. It is also evaluated as a starting material or intermediate in agricultural chemistry for the development of new agrochemicals. In specialty chemicals, it can be used as a precursor for dye and polymer syntheses and as a scaffold in the design of corrosion inhibitors or catalysts. In fragrance/flavor contexts, pyrazine derivatives are valued for odor-active properties; aminopyrazine may be used or explored as a precursor to aroma compounds in fragrance chemistry. It may also function as a reactive intermediate in coatings and inks formulations or in other industrial manufacturing applications, subject to formulation constraints and regional regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.02
    methanol 160.58
    isopropanol 35.1
    water 30.98
    ethyl acetate 25.12
    n-propanol 50.7
    acetone 44.41
    n-butanol 33.24
    acetonitrile 54.71
    DMF 211.01
    toluene 9.4
    isobutanol 24.36
    1,4-dioxane 36.89
    methyl acetate 44.22
    THF 124.69
    2-butanone 41.32
    n-pentanol 22.89
    sec-butanol 26.74
    n-hexane 0.65
    ethylene glycol 22.72
    NMP 279.04
    cyclohexane 0.82
    DMSO 219.69
    n-butyl acetate 39.66
    n-octanol 4.38
    chloroform 31.66
    n-propyl acetate 15.3
    acetic acid 175.83
    dichloromethane 35.64
    cyclohexanone 59.13
    propylene glycol 22.85
    isopropyl acetate 10.45
    DMAc 213.08
    2-ethoxyethanol 44.72
    isopentanol 19.97
    n-heptane 1.51
    ethyl formate 62.41
    1,2-dichloroethane 19.21
    n-hexanol 16.73
    2-methoxyethanol 106.73
    isobutyl acetate 6.4
    tetrachloromethane 5.72
    n-pentyl acetate 14.45
    transcutol 56.66
    n-heptanol 7.43
    ethylbenzene 1.32
    MIBK 10.0
    2-propoxyethanol 50.98
    tert-butanol 27.07
    MTBE 13.77
    2-butoxyethanol 23.39
    propionic acid 76.29
    o-xylene 5.34
    formic acid 240.34
    diethyl ether 15.8
    m-xylene 4.8
    p-xylene 2.64
    chlorobenzene 13.35
    dimethyl carbonate 13.24
    n-octane 0.41
    formamide 244.56
    cyclopentanone 104.91
    2-pentanone 25.27
    anisole 7.04
    cyclopentyl methyl ether 29.22
    gamma-butyrolactone 165.44
    1-methoxy-2-propanol 49.11
    pyridine 69.22
    3-pentanone 17.09
    furfural 150.59
    n-dodecane 0.26
    diethylene glycol 41.1
    diisopropyl ether 2.68
    tert-amyl alcohol 22.13
    acetylacetone 18.95
    n-hexadecane 0.28
    acetophenone 10.4
    methyl propionate 29.96
    isopentyl acetate 18.93
    trichloroethylene 41.46
    n-nonanol 4.11
    cyclohexanol 18.09
    benzyl alcohol 13.67
    2-ethylhexanol 7.72
    isooctanol 5.34
    dipropyl ether 11.4
    1,2-dichlorobenzene 8.48
    ethyl lactate 9.75
    propylene carbonate 59.03
    n-methylformamide 182.6
    2-pentanol 13.59
    n-pentane 1.1
    1-propoxy-2-propanol 33.7
    1-methoxy-2-propyl acetate 26.11
    2-(2-methoxypropoxy) propanol 14.79
    mesitylene 2.2
    ε-caprolactone 55.51
    p-cymene 3.09
    epichlorohydrin 90.27
    1,1,1-trichloroethane 12.54
    2-aminoethanol 50.84
    morpholine-4-carbaldehyde 119.43
    sulfolane 152.54
    2,2,4-trimethylpentane 0.61
    2-methyltetrahydrofuran 63.89
    n-hexyl acetate 9.41
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 19.5
    sec-butyl acetate 6.24
    tert-butyl acetate 8.87
    decalin 0.36
    glycerin 39.81
    diglyme 41.72
    acrylic acid 75.69
    isopropyl myristate 3.18
    n-butyric acid 76.33
    acetyl acetate 12.91
    di(2-ethylhexyl) phthalate 5.58
    ethyl propionate 9.19
    nitromethane 231.86
    1,2-diethoxyethane 19.62
    benzonitrile 23.73
    trioctyl phosphate 3.89
    1-bromopropane 10.84
    gamma-valerolactone 148.13
    n-decanol 2.92
    triethyl phosphate 6.86
    4-methyl-2-pentanol 6.1
    propionitrile 35.85
    vinylene carbonate 52.64
    1,1,2-trichlorotrifluoroethane 80.61
    DMS 9.35
    cumene 1.29
    2-octanol 4.01
    2-hexanone 13.54
    octyl acetate 5.23
    limonene 4.78
    1,2-dimethoxyethane 46.65
    ethyl orthosilicate 6.72
    tributyl phosphate 5.42
    diacetone alcohol 17.96
    N,N-dimethylaniline 6.18
    acrylonitrile 58.46
    aniline 32.4
    1,3-propanediol 56.56
    bromobenzene 8.09
    dibromomethane 18.78
    1,1,2,2-tetrachloroethane 27.35
    2-methyl-cyclohexyl acetate 7.62
    tetrabutyl urea 8.53
    diisobutyl methanol 4.26
    2-phenylethanol 13.94
    styrene 2.17
    dioctyl adipate 5.47
    dimethyl sulfate 31.0
    ethyl butyrate 16.13
    methyl lactate 24.01
    butyl lactate 14.29
    diethyl carbonate 8.93
    propanediol butyl ether 15.12
    triethyl orthoformate 11.76
    p-tert-butyltoluene 2.8
    methyl 4-tert-butylbenzoate 11.69
    morpholine 73.43
    tert-butylamine 12.46
    n-dodecanol 2.11
    dimethoxymethane 45.65
    ethylene carbonate 41.14
    cyrene 19.03
    2-ethoxyethyl acetate 22.48
    2-ethylhexyl acetate 14.79
    1,2,4-trichlorobenzene 12.42
    4-methylpyridine 65.9
    dibutyl ether 4.78
    2,6-dimethyl-4-heptanol 4.26
    DEF 47.99
    dimethyl isosorbide 28.37
    tetrachloroethylene 21.01
    eugenol 13.37
    triacetin 10.51
    span 80 11.46
    1,4-butanediol 20.49
    1,1-dichloroethane 18.42
    2-methyl-1-pentanol 13.59
    methyl formate 106.58
    2-methyl-1-butanol 20.31
    n-decane 0.43
    butyronitrile 36.46
    3,7-dimethyl-1-octanol 4.4
    1-chlorooctane 1.64
    1-chlorotetradecane 0.69
    n-nonane 0.41
    undecane 0.32
    tert-butylcyclohexane 0.38
    cyclooctane 0.33
    cyclopentanol 38.3
    tetrahydropyran 32.21
    tert-amyl methyl ether 11.08
    2,5,8-trioxanonane 26.91
    1-hexene 2.59
    2-isopropoxyethanol 20.58
    2,2,2-trifluoroethanol 65.6
    methyl butyrate 16.67

    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