Formamidine

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  • Identifiers

    CAS number
    463-52-5

    Molecular formula
    CH4N2

    SMILES
    C(=N)N

    Safety labels

  • Odor profile

    Fragrance
    Pungent 65.13%
    Radish 45.38%
    Odorless 44.79%
    Sulfurous 32.59%
    Green 30.01%
    Fishy 29.3%
    Garlic 28.77%
    Alliaceous 28.47%
    Cabbage 24.7%
    Cheesy 21.45%

     

    Flavor
    Pungent 52.68%
    Mustard 51.1%
    Bitter 41.71%
    Garlic 33.8%
    Sulfur 33.77%
    Odorless 30.46%
    Horseradish 26.81%
    Formyl 24.33%
    Rotten 22.85%
    Vinegar 22.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    6.62 (neutral)

    Molecular weight
    44.056 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point

    • 35.64 ˚C est.

  • Synonyms

    • Formamidine
    • Methanimidamide
    • formimidamide
    • Methanoic acid amidine
    • 463-52-5
    • Formamidinium
    • M8KP3Q82AG
    • CHEBI:38477
    • DTXSID00870543
    • RefChem:141214
    • DTXCID20818260
    • imidoformamide
    • HC(=NH)-NH2
    • UNII-PFC3YH7YHK
    • UNII-M8KP3Q82AG
    • SCHEMBL1208
    • SCHEMBL11334
    • SCHEMBL744877
    • SCHEMBL1387989
    • SCHEMBL1690792
    • SCHEMBL5352766
    • SCHEMBL5684439
    • PNKUSGQVOMIXLU-UHFFFAOYSA-
    • EINECS 228-639-2
    • BBL011114
    • NSC 39860
    • STK802376
    • AKOS005622690
    • 87667-19-4
    • NS00040720
    • InChI=1/CH4N2/c2-1-3/h1H,(H3,2,3)
    • Q27117873
    • 463-52-5

  • Applications

    Formamidine (CAS 463-52-5) is primarily used as an organic synthesis intermediate to prepare amidine-containing compounds and related heterocycles, enabling the development of pharmaceutical and agrochemical precursors. In pharmaceutical and specialty chemicals, it serves as a building block for drug-like intermediates and participates in reactions to form heterocyclic rings, aiding the construction of complex amidine-derived structures. In addition, it is used as a laboratory reagent and starting material in synthetic research to expand the scope of amidine chemistry and associated functional groups.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.98
    methanol 182.67
    isopropanol 16.96
    water 709.6
    ethyl acetate 8.01
    n-propanol 25.14
    acetone 24.73
    n-butanol 11.66
    acetonitrile 18.1
    DMF 376.85
    toluene 0.78
    isobutanol 11.9
    1,4-dioxane 14.93
    methyl acetate 17.15
    THF 25.55
    2-butanone 12.09
    n-pentanol 7.35
    sec-butanol 9.57
    n-hexane 0.32
    ethylene glycol 225.66
    NMP 150.51
    cyclohexane 0.39
    DMSO 152.92
    n-butyl acetate 6.96
    n-octanol 2.73
    chloroform 4.0
    n-propyl acetate 6.61
    acetic acid 190.9
    dichloromethane 3.62
    cyclohexanone 13.37
    propylene glycol 131.28
    isopropyl acetate 3.72
    DMAc 191.27
    2-ethoxyethanol 39.37
    isopentanol 5.16
    n-heptane 0.59
    ethyl formate 18.77
    1,2-dichloroethane 2.54
    n-hexanol 8.37
    2-methoxyethanol 104.11
    isobutyl acetate 3.5
    tetrachloromethane 1.83
    n-pentyl acetate 3.89
    transcutol 29.32
    n-heptanol 4.79
    ethylbenzene 0.35
    MIBK 2.65
    2-propoxyethanol 40.64
    tert-butanol 9.93
    MTBE 2.75
    2-butoxyethanol 21.77
    propionic acid 73.66
    o-xylene 0.87
    formic acid 419.35
    diethyl ether 2.75
    m-xylene 0.71
    p-xylene 0.65
    chlorobenzene 1.44
    dimethyl carbonate 22.23
    n-octane 0.17
    formamide 274.78
    cyclopentanone 30.78
    2-pentanone 6.22
    anisole 2.52
    cyclopentyl methyl ether 6.74
    gamma-butyrolactone 51.54
    1-methoxy-2-propanol 48.34
    pyridine 12.04
    3-pentanone 5.63
    furfural 58.83
    n-dodecane 0.13
    diethylene glycol 80.59
    diisopropyl ether 0.69
    tert-amyl alcohol 7.18
    acetylacetone 10.45
    n-hexadecane 0.13
    acetophenone 4.92
    methyl propionate 17.18
    isopentyl acetate 3.94
    trichloroethylene 6.33
    n-nonanol 2.42
    cyclohexanol 6.45
    benzyl alcohol 6.51
    2-ethylhexanol 3.02
    isooctanol 2.75
    dipropyl ether 3.8
    1,2-dichlorobenzene 1.58
    ethyl lactate 16.57
    propylene carbonate 22.09
    n-methylformamide 194.8
    2-pentanol 4.25
    n-pentane 0.36
    1-propoxy-2-propanol 22.5
    1-methoxy-2-propyl acetate 11.43
    2-(2-methoxypropoxy) propanol 13.23
    mesitylene 0.51
    ε-caprolactone 15.33
    p-cymene 0.85
    epichlorohydrin 18.87
    1,1,1-trichloroethane 1.88
    2-aminoethanol 152.14
    morpholine-4-carbaldehyde 108.54
    sulfolane 73.02
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 8.47
    n-hexyl acetate 3.8
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 16.88
    sec-butyl acetate 2.56
    tert-butyl acetate 3.03
    decalin 0.17
    glycerin 243.5
    diglyme 31.25
    acrylic acid 122.33
    isopropyl myristate 1.18
    n-butyric acid 30.84
    acetyl acetate 6.96
    di(2-ethylhexyl) phthalate 3.85
    ethyl propionate 5.79
    nitromethane 180.99
    1,2-diethoxyethane 3.93
    benzonitrile 5.08
    trioctyl phosphate 2.91
    1-bromopropane 0.95
    gamma-valerolactone 54.92
    n-decanol 1.75
    triethyl phosphate 3.83
    4-methyl-2-pentanol 1.86
    propionitrile 10.31
    vinylene carbonate 24.43
    1,1,2-trichlorotrifluoroethane 77.87
    DMS 8.55
    cumene 0.39
    2-octanol 1.8
    2-hexanone 4.34
    octyl acetate 2.57
    limonene 1.31
    1,2-dimethoxyethane 28.13
    ethyl orthosilicate 3.24
    tributyl phosphate 3.19
    diacetone alcohol 10.33
    N,N-dimethylaniline 2.82
    acrylonitrile 25.79
    aniline 5.67
    1,3-propanediol 72.48
    bromobenzene 0.78
    dibromomethane 1.62
    1,1,2,2-tetrachloroethane 5.73
    2-methyl-cyclohexyl acetate 3.67
    tetrabutyl urea 5.43
    diisobutyl methanol 1.31
    2-phenylethanol 6.29
    styrene 0.59
    dioctyl adipate 3.38
    dimethyl sulfate 50.36
    ethyl butyrate 5.05
    methyl lactate 47.44
    butyl lactate 10.16
    diethyl carbonate 4.37
    propanediol butyl ether 22.54
    triethyl orthoformate 4.64
    p-tert-butyltoluene 0.84
    methyl 4-tert-butylbenzoate 6.98
    morpholine 29.58
    tert-butylamine 3.78
    n-dodecanol 1.33
    dimethoxymethane 42.82
    ethylene carbonate 17.4
    cyrene 22.59
    2-ethoxyethyl acetate 7.12
    2-ethylhexyl acetate 3.07
    1,2,4-trichlorobenzene 2.47
    4-methylpyridine 7.31
    dibutyl ether 1.12
    2,6-dimethyl-4-heptanol 1.31
    DEF 24.55
    dimethyl isosorbide 16.14
    tetrachloroethylene 6.11
    eugenol 12.34
    triacetin 9.43
    span 80 14.54
    1,4-butanediol 39.93
    1,1-dichloroethane 1.9
    2-methyl-1-pentanol 3.37
    methyl formate 113.67
    2-methyl-1-butanol 6.7
    n-decane 0.18
    butyronitrile 5.76
    3,7-dimethyl-1-octanol 1.57
    1-chlorooctane 0.51
    1-chlorotetradecane 0.27
    n-nonane 0.17
    undecane 0.14
    tert-butylcyclohexane 0.16
    cyclooctane 0.17
    cyclopentanol 17.15
    tetrahydropyran 5.67
    tert-amyl methyl ether 2.6
    2,5,8-trioxanonane 21.91
    1-hexene 0.76
    2-isopropoxyethanol 16.22
    2,2,2-trifluoroethanol 117.1
    methyl butyrate 9.06

    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