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

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  • Identifiers

    CAS number
    62450-07-1

    Molecular formula
    C12H11N3

    SMILES
    CC1=C2C3=CC=CC=C3NC2=CC(=N1)N

    Safety labels

  • Odor profile

    Fragrance
    Animal 39.48%
    Fruity 36.78%
    Burnt 33.74%
    Roasted 28.74%
    Meaty 26.23%
    Cheesy 25.91%
    Musty 25.38%
    Fatty 24.77%
    Odorless 24.74%
    Grape 23.65%

     

    Flavor
    Bitter 83.69%
    Very strong 23.65%
    Odorless 23.23%
    Indole 23.13%
    Cereal 20.93%
    Roasted 20.86%
    Bread crust 20.68%
    Nitrile 20.66%
    Soybean 20.57%
    Moth ball 20.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.1 (neutral)

    Molecular weight
    197.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    564°C

    Melting point expt.

    • 242 - 247 °C

    Flash point

    • 253.07 ˚C est.

  • Synonyms

    • Trp-P-2
    • 3-Amino-1-methyl-5H-pyrido[4,3-b]indole
    • 1-methyl-5H-pyrido[4,3-b]indol-3-amine
    • 62450-07-1
    • Tryptophan-P-2
    • Trp-2
    • 3-Amino-1-methyl-gamma-carboline
    • 3-AMINO-1-METHYL-5H-PYRIDO(4,3-B)INDOLE
    • 1-Methyl-3-amino-5H-pyrido(4,3-b)indole
    • 1-Methyl-9H-pyrido(4,3-b)indol-3-amine
    • 775UJ9HCTR
    • 5H-Pyrido(4,3-b)indol-3-amine, 1-methyl-
    • DTXSID5043768
    • 1-Methyl-5H-Pyrido(4,3-b)indol-3-amine
    • RefChem:92851
    • DTXCID3023768
    • Tryptophan P2
    • Trytophan pyrolysate 2
    • Rp-P-2
    • CHEMBL365481
    • Tryptophan p 2
    • CCRIS 1415
    • UNII-775UJ9HCTR
    • BRN 0647116
    • TRP-P 2
    • Trp-P2
    • 5H-Pyrido(4,3-b)indole, 3-amino-1-methyl-
    • TRP-P-2 [IARC]
    • BIDD:ER0587
    • SCHEMBL894692
    • SCHEMBL29460672
    • SCHEMBL29689273
    • CHEBI:34328
    • 3-Amino-1-methyl-5H-pyrido[4,3-b]indoleDISCONTINUED See A618001
    • BDBM50151132
    • rac N'-Nitrosonornicotine 5'-Acetate
    • 1-Methyl-5H-pyrido[4,3-b]indol-3-ylamine
    • 3-AMINO-1-METHYL-.GAMMA.-CARBOLINE
    • (1-methyl-5H-pyrido[4,5-b]indol-3-yl)-amine
    • 1-Methyl-5H-pyrido[3,4-b]indol-1-amine, 9CI
    • Q27115994
    • 62450-07-1

  • Applications

    3-Amino-1-methyl-5H-pyrido(4,3-b)indole (CAS 62450-07-1) is typically used as an intermediate and building block in medicinal chemistry for the synthesis of heterocyclic amine frameworks and related pharmaceutical leads; it is also employed as a precursor for dye and pigment synthesis in materials applications such as coatings and inks, and may serve as an intermediate in agrochemical lead development; the amino functionality enables incorporation into polymers or serves as a crosslinking site in specialty polymers; and it is commonly evaluated in research settings as a scaffold for further functionalization in chemical biology and materials science.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.42
    methanol 22.68
    isopropanol 9.11
    water 1.34
    ethyl acetate 24.54
    n-propanol 14.47
    acetone 30.3
    n-butanol 14.64
    acetonitrile 10.2
    DMF 95.37
    toluene 2.89
    isobutanol 12.89
    1,4-dioxane 33.01
    methyl acetate 23.56
    THF 148.43
    2-butanone 23.69
    n-pentanol 14.65
    sec-butanol 9.19
    n-hexane 0.43
    ethylene glycol 16.76
    NMP 124.65
    cyclohexane 0.31
    DMSO 138.1
    n-butyl acetate 24.37
    n-octanol 8.09
    chloroform 14.41
    n-propyl acetate 19.95
    acetic acid 44.59
    dichloromethane 18.99
    cyclohexanone 44.78
    propylene glycol 14.67
    isopropyl acetate 12.82
    DMAc 85.09
    2-ethoxyethanol 46.63
    isopentanol 15.76
    n-heptane 0.75
    ethyl formate 22.2
    1,2-dichloroethane 13.85
    n-hexanol 19.05
    2-methoxyethanol 82.82
    isobutyl acetate 17.82
    tetrachloromethane 3.53
    n-pentyl acetate 20.06
    transcutol 61.9
    n-heptanol 12.08
    ethylbenzene 1.95
    MIBK 15.54
    2-propoxyethanol 67.24
    tert-butanol 11.2
    MTBE 5.92
    2-butoxyethanol 36.59
    propionic acid 28.22
    o-xylene 2.42
    formic acid 35.66
    diethyl ether 7.09
    m-xylene 3.3
    p-xylene 3.47
    chlorobenzene 7.99
    dimethyl carbonate 29.93
    n-octane 0.35
    formamide 47.45
    cyclopentanone 103.63
    2-pentanone 22.02
    anisole 9.02
    cyclopentyl methyl ether 32.66
    gamma-butyrolactone 138.32
    1-methoxy-2-propanol 50.78
    pyridine 24.04
    3-pentanone 15.46
    furfural 89.32
    n-dodecane 0.39
    diethylene glycol 71.41
    diisopropyl ether 2.54
    tert-amyl alcohol 10.4
    acetylacetone 38.34
    n-hexadecane 0.45
    acetophenone 15.57
    methyl propionate 31.31
    isopentyl acetate 23.91
    trichloroethylene 29.79
    n-nonanol 8.0
    cyclohexanol 12.86
    benzyl alcohol 16.88
    2-ethylhexanol 12.13
    isooctanol 10.64
    dipropyl ether 10.07
    1,2-dichlorobenzene 8.82
    ethyl lactate 20.33
    propylene carbonate 59.38
    n-methylformamide 49.85
    2-pentanol 7.77
    n-pentane 0.29
    1-propoxy-2-propanol 38.59
    1-methoxy-2-propyl acetate 35.13
    2-(2-methoxypropoxy) propanol 26.69
    mesitylene 2.11
    ε-caprolactone 44.67
    p-cymene 4.06
    epichlorohydrin 100.86
    1,1,1-trichloroethane 9.15
    2-aminoethanol 25.0
    morpholine-4-carbaldehyde 97.32
    sulfolane 138.48
    2,2,4-trimethylpentane 0.43
    2-methyltetrahydrofuran 53.13
    n-hexyl acetate 19.71
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 36.83
    sec-butyl acetate 11.83
    tert-butyl acetate 13.69
    decalin 0.53
    glycerin 39.07
    diglyme 60.06
    acrylic acid 33.66
    isopropyl myristate 7.1
    n-butyric acid 34.48
    acetyl acetate 16.79
    di(2-ethylhexyl) phthalate 14.35
    ethyl propionate 16.38
    nitromethane 89.0
    1,2-diethoxyethane 18.59
    benzonitrile 14.56
    trioctyl phosphate 11.42
    1-bromopropane 5.17
    gamma-valerolactone 114.46
    n-decanol 6.24
    triethyl phosphate 13.82
    4-methyl-2-pentanol 6.87
    propionitrile 9.99
    vinylene carbonate 48.92
    1,1,2-trichlorotrifluoroethane 73.36
    DMS 24.8
    cumene 2.48
    2-octanol 7.56
    2-hexanone 19.21
    octyl acetate 11.34
    limonene 5.03
    1,2-dimethoxyethane 58.14
    ethyl orthosilicate 12.11
    tributyl phosphate 12.11
    diacetone alcohol 27.48
    N,N-dimethylaniline 8.33
    acrylonitrile 16.85
    aniline 10.7
    1,3-propanediol 33.39
    bromobenzene 6.07
    dibromomethane 9.47
    1,1,2,2-tetrachloroethane 22.35
    2-methyl-cyclohexyl acetate 17.61
    tetrabutyl urea 15.86
    diisobutyl methanol 6.18
    2-phenylethanol 19.51
    styrene 2.01
    dioctyl adipate 12.01
    dimethyl sulfate 58.19
    ethyl butyrate 16.15
    methyl lactate 32.48
    butyl lactate 23.99
    diethyl carbonate 13.7
    propanediol butyl ether 29.52
    triethyl orthoformate 14.6
    p-tert-butyltoluene 3.64
    methyl 4-tert-butylbenzoate 21.81
    morpholine 45.84
    tert-butylamine 4.32
    n-dodecanol 4.77
    dimethoxymethane 70.49
    ethylene carbonate 40.37
    cyrene 41.15
    2-ethoxyethyl acetate 32.75
    2-ethylhexyl acetate 20.01
    1,2,4-trichlorobenzene 13.45
    4-methylpyridine 19.79
    dibutyl ether 6.03
    2,6-dimethyl-4-heptanol 6.18
    DEF 28.52
    dimethyl isosorbide 47.99
    tetrachloroethylene 16.67
    eugenol 27.78
    triacetin 22.33
    span 80 23.97
    1,4-butanediol 19.34
    1,1-dichloroethane 7.53
    2-methyl-1-pentanol 15.39
    methyl formate 49.28
    2-methyl-1-butanol 14.89
    n-decane 0.55
    butyronitrile 10.84
    3,7-dimethyl-1-octanol 7.77
    1-chlorooctane 3.12
    1-chlorotetradecane 1.54
    n-nonane 0.45
    undecane 0.46
    tert-butylcyclohexane 0.62
    cyclooctane 0.18
    cyclopentanol 27.76
    tetrahydropyran 21.22
    tert-amyl methyl ether 7.03
    2,5,8-trioxanonane 42.81
    1-hexene 1.96
    2-isopropoxyethanol 30.58
    2,2,2-trifluoroethanol 31.8
    methyl butyrate 22.89

    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