3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole

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  • Identifiers

    CAS number
    62450-06-0

    Molecular formula
    C13H13N3

    SMILES
    CC1=C2C(=C(N=C1N)C)C3=CC=CC=C3N2

    Safety labels

  • Odor profile

    Fragrance
    Animal 37.98%
    Fruity 35.14%
    Burnt 33.1%
    Fatty 26.11%
    Musk 26.06%
    Phenolic 25.74%
    Musty 25.68%
    Roasted 25.56%
    Odorless 24.65%
    Powdery 22.53%

     

    Flavor
    Bitter 87.94%
    Odorless 25.67%
    Very strong 23.42%
    Indole 22.7%
    Soybean 20.82%
    Cereal 20.66%
    Bread crust 20.47%
    Nitrile 20.47%
    Scallion 20.21%
    Rotten 20.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.9 (neutral)

    Molecular weight
    211.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    659°C

    Melting point expt.

    • 252 - 262 °C

    Flash point

    • 250.32 ˚C est.

  • Synonyms

    • Trp-P-1
    • 62450-06-0
    • 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
    • Tryptophan-P-1
    • 3-AMINO-1,4-DIMETHYL-5H-PYRIDO(4,3-B)INDOLE
    • 3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole
    • 3-Amino-1,4-dimethyl-gamma-carboline
    • LAH2R5Z22D
    • 1,4-Dimethyl-9H-pyrido(4,3-b)indol-3-amine
    • 5H-Pyrido(4,3-b)indol-3-amine, 1,4-dimethyl-
    • DTXSID0043767
    • 1,4-Dimethyl-5H-Pyrido(4,3-b)indol-3-amine
    • 5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-
    • RefChem:25894
    • DTXCID8023767
    • Tryptophan P1
    • Trp-1
    • Trytophan pyrolysate 1
    • CCRIS 1414
    • UNII-LAH2R5Z22D
    • BRN 0653052
    • TRP-P 1
    • Trp-P1
    • TRYPTOPHAN P 1
    • TRP-P-1 [IARC]
    • 5H-Pyrido(4,3-b)indole, 3-amino-1,4-dimethyl-
    • SCHEMBL894928
    • SCHEMBL29350207
    • SCHEMBL30286478
    • CHEBI:82376
    • 3-Amino-1,4-dimethyl-g-carboline
    • C19306
    • 3-AMINO-1,4-DIMETHYL-.GAMMA.-CARBOLINE
    • 1,4-Dimethyl-5H-pyrido[4,3-b]indol-3-amine, 9CI
    • Q27155906
    • 62450-06-0

  • Applications

    Chemical name: 3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole; CAS number: 62450-06-0. In pharmaceutical and medicinal chemistry, this heterocyclic amine is commonly used as a synthetic intermediate and building block for constructing heteroaromatic targets and for exploring structure-activity relationships. It serves as a scaffold for diversification to related pyridoindole frameworks, supporting SAR studies. The core can also function as a scaffold for fluorescent probe design and related dye-like motifs in biochemical assays. Additionally, it is widely used as a general research reagent in academic and industrial R&D for heterocycle synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.28
    methanol 28.54
    isopropanol 17.67
    water 0.51
    ethyl acetate 34.84
    n-propanol 24.73
    acetone 63.79
    n-butanol 24.69
    acetonitrile 13.18
    DMF 155.88
    toluene 7.18
    isobutanol 22.38
    1,4-dioxane 57.56
    methyl acetate 32.77
    THF 188.8
    2-butanone 47.49
    n-pentanol 25.19
    sec-butanol 17.73
    n-hexane 0.87
    ethylene glycol 9.58
    NMP 108.53
    cyclohexane 0.61
    DMSO 134.73
    n-butyl acetate 41.99
    n-octanol 13.91
    chloroform 55.15
    n-propyl acetate 33.82
    acetic acid 36.99
    dichloromethane 62.14
    cyclohexanone 66.92
    propylene glycol 10.15
    isopropyl acetate 22.45
    DMAc 100.61
    2-ethoxyethanol 53.14
    isopentanol 25.31
    n-heptane 1.27
    ethyl formate 34.43
    1,2-dichloroethane 38.6
    n-hexanol 33.14
    2-methoxyethanol 77.96
    isobutyl acetate 29.71
    tetrachloromethane 9.62
    n-pentyl acetate 37.29
    transcutol 49.42
    n-heptanol 23.55
    ethylbenzene 5.74
    MIBK 24.61
    2-propoxyethanol 79.72
    tert-butanol 20.76
    MTBE 12.79
    2-butoxyethanol 51.43
    propionic acid 25.79
    o-xylene 5.68
    formic acid 19.98
    diethyl ether 16.16
    m-xylene 7.33
    p-xylene 9.62
    chlorobenzene 18.12
    dimethyl carbonate 31.7
    n-octane 0.84
    formamide 33.92
    cyclopentanone 136.5
    2-pentanone 40.57
    anisole 18.63
    cyclopentyl methyl ether 43.05
    gamma-butyrolactone 158.48
    1-methoxy-2-propanol 53.11
    pyridine 46.05
    3-pentanone 28.94
    furfural 106.67
    n-dodecane 0.74
    diethylene glycol 64.92
    diisopropyl ether 4.56
    tert-amyl alcohol 17.75
    acetylacetone 55.14
    n-hexadecane 0.86
    acetophenone 28.7
    methyl propionate 37.71
    isopentyl acetate 40.18
    trichloroethylene 74.74
    n-nonanol 13.91
    cyclohexanol 18.72
    benzyl alcohol 27.42
    2-ethylhexanol 20.43
    isooctanol 19.93
    dipropyl ether 15.02
    1,2-dichlorobenzene 19.27
    ethyl lactate 22.34
    propylene carbonate 70.97
    n-methylformamide 56.74
    2-pentanol 13.73
    n-pentane 0.64
    1-propoxy-2-propanol 45.79
    1-methoxy-2-propyl acetate 46.06
    2-(2-methoxypropoxy) propanol 27.95
    mesitylene 4.41
    ε-caprolactone 58.2
    p-cymene 7.59
    epichlorohydrin 133.47
    1,1,1-trichloroethane 24.37
    2-aminoethanol 18.53
    morpholine-4-carbaldehyde 101.46
    sulfolane 147.16
    2,2,4-trimethylpentane 0.76
    2-methyltetrahydrofuran 69.69
    n-hexyl acetate 31.66
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 40.39
    sec-butyl acetate 19.89
    tert-butyl acetate 23.48
    decalin 1.06
    glycerin 23.12
    diglyme 69.67
    acrylic acid 28.22
    isopropyl myristate 10.9
    n-butyric acid 40.71
    acetyl acetate 23.29
    di(2-ethylhexyl) phthalate 18.67
    ethyl propionate 24.49
    nitromethane 84.36
    1,2-diethoxyethane 26.47
    benzonitrile 26.15
    trioctyl phosphate 15.7
    1-bromopropane 14.55
    gamma-valerolactone 138.3
    n-decanol 10.69
    triethyl phosphate 16.99
    4-methyl-2-pentanol 11.46
    propionitrile 16.92
    vinylene carbonate 60.79
    1,1,2-trichlorotrifluoroethane 78.97
    DMS 32.17
    cumene 5.94
    2-octanol 15.44
    2-hexanone 35.01
    octyl acetate 17.05
    limonene 8.79
    1,2-dimethoxyethane 90.78
    ethyl orthosilicate 15.66
    tributyl phosphate 15.53
    diacetone alcohol 37.05
    N,N-dimethylaniline 15.74
    acrylonitrile 24.9
    aniline 18.82
    1,3-propanediol 31.8
    bromobenzene 15.01
    dibromomethane 31.47
    1,1,2,2-tetrachloroethane 55.85
    2-methyl-cyclohexyl acetate 25.05
    tetrabutyl urea 21.42
    diisobutyl methanol 9.81
    2-phenylethanol 34.05
    styrene 5.95
    dioctyl adipate 15.79
    dimethyl sulfate 57.11
    ethyl butyrate 24.96
    methyl lactate 26.83
    butyl lactate 31.64
    diethyl carbonate 19.15
    propanediol butyl ether 31.41
    triethyl orthoformate 20.55
    p-tert-butyltoluene 6.79
    methyl 4-tert-butylbenzoate 29.68
    morpholine 62.79
    tert-butylamine 9.34
    n-dodecanol 7.91
    dimethoxymethane 94.71
    ethylene carbonate 49.64
    cyrene 46.32
    2-ethoxyethyl acetate 48.46
    2-ethylhexyl acetate 31.95
    1,2,4-trichlorobenzene 25.07
    4-methylpyridine 38.66
    dibutyl ether 10.02
    2,6-dimethyl-4-heptanol 9.81
    DEF 45.07
    dimethyl isosorbide 53.56
    tetrachloroethylene 41.56
    eugenol 36.99
    triacetin 27.34
    span 80 27.2
    1,4-butanediol 19.49
    1,1-dichloroethane 23.86
    2-methyl-1-pentanol 25.52
    methyl formate 55.53
    2-methyl-1-butanol 23.84
    n-decane 1.13
    butyronitrile 20.32
    3,7-dimethyl-1-octanol 12.1
    1-chlorooctane 6.19
    1-chlorotetradecane 2.75
    n-nonane 0.91
    undecane 0.9
    tert-butylcyclohexane 1.14
    cyclooctane 0.35
    cyclopentanol 33.66
    tetrahydropyran 39.49
    tert-amyl methyl ether 12.48
    2,5,8-trioxanonane 45.57
    1-hexene 4.72
    2-isopropoxyethanol 40.51
    2,2,2-trifluoroethanol 27.2
    methyl butyrate 38.23

    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