5-Aminoindole

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  • Identifiers

    CAS number
    5192-03-0

    Molecular formula
    C8H8N2

    SMILES
    C1=CC2=C(C=CN2)C=C1N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 43.82%
    Fruity 39.55%
    Burnt 36.4%
    Floral 35.99%
    Cheesy 34.25%
    Meaty 32.5%
    Grape 32.06%
    Roasted 28.52%
    Musty 28.43%
    Sweet 27.89%

     

    Flavor
    Bitter 42.44%
    Animal 28.45%
    Fecal 26.73%
    Very strong 25.38%
    Indole 25.07%
    Coffee 24.48%
    Moth ball 24.01%
    Naphthelene 23.62%
    Nitrile 21.98%
    Mothball 21.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.56 (weak acid)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    372°C

    Flash point

    • 185.26 ˚C est.

  • Synonyms

    • 5-Aminoindole
    • 1H-Indol-5-amine
    • 5192-03-0
    • Indol-5-ylamine
    • Indole, 5-amino-
    • 1H-indol-5-ylamine
    • 5-Indolamine
    • MFCD00005679
    • 5-AMINO-1H-INDOLE
    • UNII-Q732PG0Y16
    • CHEBI:33067
    • Q732PG0Y16
    • EINECS 225-977-2
    • NSC 61452
    • NSC-61452
    • DTXSID5063734
    • ZCBIFHNDZBSCEP-UHFFFAOYSA-
    • 5 -aminoindole
    • 5-amino indole
    • 5-amino-indole
    • 5-Indole amine
    • (Indol-5-yl)amine; 5-Indolamine; NSC 61452; 1H-Indol-5-ylamine; 5-Amino-1H-indole;
    • 5amino-1H-indole
    • NSC61452
    • 1H-5-indolylamine
    • 1h-indole-5-amine
    • (Indol-5-yl)amine
    • 5-Aminoindole, 97%
    • (1H-indole-5-yl)-amine
    • cid_78867
    • BIDD:GT0124
    • SCHEMBL130519
    • CHEMBL325916
    • DTXCID4041103
    • BDBM32210
    • STK711129
    • AKOS000280236
    • AC-5465
    • CS-W007509
    • FA03582
    • HY-W007509
    • PS-4506
    • SB14953
    • SDCCGMLS-0066200.P001
    • NCGC00342252-01
    • SY014519
    • DB-005366
    • A2071
    • NS00032375
    • EN300-28737
    • AB00443549-03
    • Q27115500
    • Z271138340

  • Applications

    5-Aminoindole (CAS 5192-03-0) is commonly used as an intermediate in the synthesis of indole and related heterocycles, supporting pharmaceutical development and the identification of lead compounds; serves as a building block for designing indole-based and other complex heterocyclic scaffolds in organic synthesis; acts as a precursor for colorants and pigments used in dye chemistry; is employed as an intermediate in the synthesis of agrochemicals and related agricultural products; and is used in research and development to support exploration of new transformations and optimization of synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.97
    methanol 14.8
    isopropanol 5.78
    water 1.7
    ethyl acetate 7.55
    n-propanol 7.07
    acetone 11.6
    n-butanol 6.75
    acetonitrile 5.12
    DMF 41.51
    toluene 0.19
    isobutanol 5.56
    1,4-dioxane 8.77
    methyl acetate 10.95
    THF 49.92
    2-butanone 11.54
    n-pentanol 8.65
    sec-butanol 5.26
    n-hexane 0.1
    ethylene glycol 9.0
    NMP 31.8
    cyclohexane 0.03
    DMSO 36.77
    n-butyl acetate 9.98
    n-octanol 4.53
    chloroform 3.7
    n-propyl acetate 8.42
    acetic acid 22.04
    dichloromethane 2.03
    cyclohexanone 8.63
    propylene glycol 8.28
    isopropyl acetate 4.81
    DMAc 62.19
    2-ethoxyethanol 36.16
    isopentanol 7.34
    n-heptane 0.32
    ethyl formate 8.74
    1,2-dichloroethane 1.44
    n-hexanol 14.34
    2-methoxyethanol 44.84
    isobutyl acetate 6.83
    tetrachloromethane 1.87
    n-pentyl acetate 7.86
    transcutol 26.93
    n-heptanol 9.92
    ethylbenzene 0.37
    MIBK 7.21
    2-propoxyethanol 48.12
    tert-butanol 9.75
    MTBE 4.32
    2-butoxyethanol 32.47
    propionic acid 11.72
    o-xylene 0.37
    formic acid 26.09
    diethyl ether 1.94
    m-xylene 0.46
    p-xylene 0.78
    chlorobenzene 1.03
    dimethyl carbonate 10.98
    n-octane 0.17
    formamide 27.52
    cyclopentanone 30.8
    2-pentanone 8.31
    anisole 4.74
    cyclopentyl methyl ether 6.96
    gamma-butyrolactone 38.9
    1-methoxy-2-propanol 32.04
    pyridine 4.18
    3-pentanone 4.9
    furfural 32.81
    n-dodecane 0.16
    diethylene glycol 49.73
    diisopropyl ether 1.0
    tert-amyl alcohol 9.28
    acetylacetone 13.75
    n-hexadecane 0.18
    acetophenone 7.42
    methyl propionate 10.68
    isopentyl acetate 10.68
    trichloroethylene 5.75
    n-nonanol 4.86
    cyclohexanol 2.31
    benzyl alcohol 5.99
    2-ethylhexanol 7.65
    isooctanol 8.5
    dipropyl ether 5.24
    1,2-dichlorobenzene 2.01
    ethyl lactate 9.82
    propylene carbonate 16.89
    n-methylformamide 23.19
    2-pentanol 3.78
    n-pentane 0.05
    1-propoxy-2-propanol 24.17
    1-methoxy-2-propyl acetate 14.3
    2-(2-methoxypropoxy) propanol 20.87
    mesitylene 0.43
    ε-caprolactone 11.17
    p-cymene 1.39
    epichlorohydrin 26.25
    1,1,1-trichloroethane 2.83
    2-aminoethanol 14.24
    morpholine-4-carbaldehyde 30.14
    sulfolane 41.08
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 14.3
    n-hexyl acetate 7.33
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 25.06
    sec-butyl acetate 5.05
    tert-butyl acetate 7.11
    decalin 0.1
    glycerin 30.51
    diglyme 43.85
    acrylic acid 11.82
    isopropyl myristate 3.6
    n-butyric acid 14.76
    acetyl acetate 5.51
    di(2-ethylhexyl) phthalate 6.52
    ethyl propionate 7.36
    nitromethane 39.78
    1,2-diethoxyethane 7.71
    benzonitrile 4.39
    trioctyl phosphate 5.36
    1-bromopropane 0.62
    gamma-valerolactone 37.09
    n-decanol 3.75
    triethyl phosphate 6.46
    4-methyl-2-pentanol 4.23
    propionitrile 4.43
    vinylene carbonate 12.33
    1,1,2-trichlorotrifluoroethane 31.29
    DMS 6.55
    cumene 0.73
    2-octanol 4.56
    2-hexanone 10.9
    octyl acetate 5.34
    limonene 1.6
    1,2-dimethoxyethane 33.19
    ethyl orthosilicate 6.22
    tributyl phosphate 5.23
    diacetone alcohol 17.68
    N,N-dimethylaniline 4.24
    acrylonitrile 7.57
    aniline 1.66
    1,3-propanediol 21.25
    bromobenzene 0.68
    dibromomethane 0.92
    1,1,2,2-tetrachloroethane 5.34
    2-methyl-cyclohexyl acetate 8.29
    tetrabutyl urea 8.21
    diisobutyl methanol 4.03
    2-phenylethanol 10.16
    styrene 0.37
    dioctyl adipate 5.44
    dimethyl sulfate 22.11
    ethyl butyrate 7.62
    methyl lactate 14.74
    butyl lactate 10.15
    diethyl carbonate 5.72
    propanediol butyl ether 15.28
    triethyl orthoformate 7.02
    p-tert-butyltoluene 1.37
    methyl 4-tert-butylbenzoate 12.91
    morpholine 11.21
    tert-butylamine 3.05
    n-dodecanol 2.8
    dimethoxymethane 23.04
    ethylene carbonate 8.92
    cyrene 24.58
    2-ethoxyethyl acetate 12.9
    2-ethylhexyl acetate 7.91
    1,2,4-trichlorobenzene 2.95
    4-methylpyridine 3.65
    dibutyl ether 2.64
    2,6-dimethyl-4-heptanol 4.03
    DEF 10.88
    dimethyl isosorbide 34.16
    tetrachloroethylene 4.64
    eugenol 18.72
    triacetin 9.11
    span 80 13.23
    1,4-butanediol 12.06
    1,1-dichloroethane 1.41
    2-methyl-1-pentanol 9.07
    methyl formate 17.49
    2-methyl-1-butanol 6.73
    n-decane 0.24
    butyronitrile 4.36
    3,7-dimethyl-1-octanol 4.61
    1-chlorooctane 1.21
    1-chlorotetradecane 0.6
    n-nonane 0.19
    undecane 0.19
    tert-butylcyclohexane 0.2
    cyclooctane 0.03
    cyclopentanol 7.29
    tetrahydropyran 3.16
    tert-amyl methyl ether 4.3
    2,5,8-trioxanonane 36.19
    1-hexene 0.5
    2-isopropoxyethanol 22.23
    2,2,2-trifluoroethanol 16.27
    methyl butyrate 10.46

    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