3-Aminopyridine

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  • Identifiers

    CAS number
    462-08-8

    Molecular formula
    C5H6N2

    SMILES
    C1=CC(=CN=C1)N

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Roasted 57.5%
    Nutty 51.35%
    Burnt 44.45%
    Meaty 40.64%
    Coffee 38.29%
    Musty 36.25%
    Fishy 35.2%
    Hazelnut 33.34%
    Earthy 31.18%
    Cocoa 29.8%

     

    Flavor
    Nutty 44.07%
    Woody 38.61%
    Roasted 34.42%
    Coffee 34.08%
    Musty 32.49%
    Bitter 28.44%
    Meaty 27.75%
    Vegetable 27.38%
    Tobacco 27.28%
    Cocoa 27.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    4.8 (weak acid)

    Molecular weight
    94.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 147.2 °F

    Boiling point

    • 483.8 °F

    Flash point

    • 106.71 ˚C est.
    • 190.4 °F

  • Synonyms

    • 3-AMINOPYRIDINE
    • 462-08-8
    • pyridin-3-amine
    • 3-Pyridinamine
    • 3-Pyridylamine
    • m-Aminopyridine
    • Amino-3 pyridine
    • pyridin-3-ylamine
    • Pyridine, 3-amino-
    • 3-amino pyridine
    • beta-Aminopyridine
    • .beta.-Aminopyridine
    • 3-Pyridinylamine
    • MFCD00006400
    • pyridin-3-yl-amine
    • CHEMBL25541
    • DTXSID9047461
    • 69JE8P2L84
    • NSC-15040
    • DTXCID7027461
    • CAS-462-08-8
    • EINECS 207-322-2
    • NSC 15040
    • BRN 0105692
    • UNII-69JE8P2L84
    • 3-aminopryidine
    • 3-aminopyridin
    • AI3-52546
    • 3-amino-pyridin
    • 3-Amino pyridin
    • 3-pyridine amine
    • pyridine-3-amine
    • 3-Amino-pyridine
    • pyridine-3-ylamine
    • pyridin-3-yl amine
    • 5-AMINOPYRIDINE
    • 3-Aminopyridine, 99%
    • 3AP
    • WLN: T6NJ CZ
    • 5-22-09-00003 (Beilstein Handbook Reference)
    • .BETA.-AMINOPYRIDINE [MI]
    • 3-Pyridinamine; beta-Aminopyridine
    • BCP22961
    • NSC15040
    • Tox21_201650
    • Tox21_303451
    • BDBM50122005
    • CX1211
    • STL163954
    • AKOS000119614
    • FA02057
    • PS-9358
    • UN 2671
    • UN-2671
    • m-Aminopyridine [UN2671] [Poison]
    • NCGC00249092-01
    • NCGC00257364-01
    • NCGC00259199-01
    • BP-12818
    • DB-028364
    • A0413
    • NS00020819
    • EN300-21243
    • A827009
    • AC-907/25014070
    • Q4634118
    • F1995-0204
    • Z104494800
    • InChI=1/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H

  • Applications

    3-Aminopyridine (CAS 462-08-8) is primarily used as a synthetic building block and intermediate in organic synthesis. It serves as a starting material for the synthesis of heterocyclic compounds in pharmaceutical development and for pyridine-based intermediates in agrochemical production; it is also used as a precursor for dyes and pigments. Additionally, 3-Aminopyridine acts as a ligand precursor in coordination chemistry and catalysis research, and is explored in polymer and coatings science as a functionalized monomer derivative for specialty materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1218.98
    methanol 1804.88
    isopropanol 377.76
    water 119.55
    ethyl acetate 405.01
    n-propanol 628.9
    acetone 594.56
    n-butanol 469.64
    acetonitrile 440.12
    DMF 900.87
    toluene 63.3
    isobutanol 225.96
    1,4-dioxane 390.36
    methyl acetate 396.31
    THF 970.9
    2-butanone 376.83
    n-pentanol 263.19
    sec-butanol 236.75
    n-hexane 4.86
    ethylene glycol 192.13
    NMP 777.97
    cyclohexane 5.42
    DMSO 840.34
    n-butyl acetate 829.65
    n-octanol 36.52
    chloroform 329.05
    n-propyl acetate 225.58
    acetic acid 1707.58
    dichloromethane 240.9
    cyclohexanone 415.35
    propylene glycol 171.68
    isopropyl acetate 140.31
    DMAc 607.51
    2-ethoxyethanol 429.84
    isopentanol 201.64
    n-heptane 11.56
    ethyl formate 566.64
    1,2-dichloroethane 121.96
    n-hexanol 270.44
    2-methoxyethanol 909.18
    isobutyl acetate 84.45
    tetrachloromethane 40.49
    n-pentyl acetate 121.53
    transcutol 441.52
    n-heptanol 73.14
    ethylbenzene 7.19
    MIBK 83.44
    2-propoxyethanol 621.84
    tert-butanol 213.75
    MTBE 110.97
    2-butoxyethanol 194.82
    propionic acid 690.52
    o-xylene 23.39
    formic acid 1658.63
    diethyl ether 202.27
    m-xylene 29.01
    p-xylene 13.96
    chlorobenzene 93.63
    dimethyl carbonate 97.23
    n-octane 2.67
    formamide 1687.19
    cyclopentanone 688.67
    2-pentanone 320.66
    anisole 46.86
    cyclopentyl methyl ether 256.02
    gamma-butyrolactone 1051.58
    1-methoxy-2-propanol 406.68
    pyridine 459.81
    3-pentanone 149.27
    furfural 702.7
    n-dodecane 1.56
    diethylene glycol 354.87
    diisopropyl ether 24.45
    tert-amyl alcohol 144.5
    acetylacetone 198.38
    n-hexadecane 1.64
    acetophenone 58.7
    methyl propionate 306.16
    isopentyl acetate 266.46
    trichloroethylene 330.09
    n-nonanol 31.53
    cyclohexanol 144.71
    benzyl alcohol 78.25
    2-ethylhexanol 86.6
    isooctanol 42.16
    dipropyl ether 151.07
    1,2-dichlorobenzene 47.85
    ethyl lactate 69.19
    propylene carbonate 390.87
    n-methylformamide 1250.71
    2-pentanol 164.08
    n-pentane 8.42
    1-propoxy-2-propanol 398.03
    1-methoxy-2-propyl acetate 265.99
    2-(2-methoxypropoxy) propanol 67.07
    mesitylene 11.92
    ε-caprolactone 399.83
    p-cymene 15.47
    epichlorohydrin 576.65
    1,1,1-trichloroethane 100.17
    2-aminoethanol 444.64
    morpholine-4-carbaldehyde 564.46
    sulfolane 584.57
    2,2,4-trimethylpentane 3.41
    2-methyltetrahydrofuran 488.94
    n-hexyl acetate 79.85
    isooctane 2.73
    2-(2-butoxyethoxy)ethanol 117.5
    sec-butyl acetate 73.88
    tert-butyl acetate 85.61
    decalin 1.72
    glycerin 253.1
    diglyme 239.16
    acrylic acid 530.9
    isopropyl myristate 18.03
    n-butyric acid 903.66
    acetyl acetate 142.91
    di(2-ethylhexyl) phthalate 23.1
    ethyl propionate 99.84
    nitromethane 1978.71
    1,2-diethoxyethane 207.56
    benzonitrile 146.94
    trioctyl phosphate 19.89
    1-bromopropane 74.43
    gamma-valerolactone 861.07
    n-decanol 21.52
    triethyl phosphate 36.31
    4-methyl-2-pentanol 50.56
    propionitrile 289.4
    vinylene carbonate 348.72
    1,1,2-trichlorotrifluoroethane 388.17
    DMS 59.09
    cumene 5.97
    2-octanol 32.19
    2-hexanone 153.49
    octyl acetate 33.13
    limonene 26.92
    1,2-dimethoxyethane 364.42
    ethyl orthosilicate 39.43
    tributyl phosphate 29.79
    diacetone alcohol 125.59
    N,N-dimethylaniline 27.8
    acrylonitrile 409.92
    aniline 192.89
    1,3-propanediol 560.55
    bromobenzene 56.45
    dibromomethane 124.55
    1,1,2,2-tetrachloroethane 188.18
    2-methyl-cyclohexyl acetate 55.25
    tetrabutyl urea 38.17
    diisobutyl methanol 30.38
    2-phenylethanol 109.36
    styrene 13.15
    dioctyl adipate 27.06
    dimethyl sulfate 133.16
    ethyl butyrate 210.75
    methyl lactate 147.61
    butyl lactate 90.81
    diethyl carbonate 76.43
    propanediol butyl ether 100.83
    triethyl orthoformate 100.02
    p-tert-butyltoluene 13.91
    methyl 4-tert-butylbenzoate 44.95
    morpholine 645.2
    tert-butylamine 92.39
    n-dodecanol 14.99
    dimethoxymethane 372.13
    ethylene carbonate 302.74
    cyrene 65.71
    2-ethoxyethyl acetate 175.98
    2-ethylhexyl acetate 184.19
    1,2,4-trichlorobenzene 63.56
    4-methylpyridine 389.3
    dibutyl ether 46.37
    2,6-dimethyl-4-heptanol 30.38
    DEF 375.34
    dimethyl isosorbide 115.98
    tetrachloroethylene 152.74
    eugenol 53.19
    triacetin 59.31
    span 80 60.82
    1,4-butanediol 180.87
    1,1-dichloroethane 151.34
    2-methyl-1-pentanol 114.07
    methyl formate 719.88
    2-methyl-1-butanol 187.31
    n-decane 2.89
    butyronitrile 369.31
    3,7-dimethyl-1-octanol 32.99
    1-chlorooctane 11.97
    1-chlorotetradecane 4.13
    n-nonane 2.81
    undecane 2.01
    tert-butylcyclohexane 2.19
    cyclooctane 2.03
    cyclopentanol 279.66
    tetrahydropyran 367.6
    tert-amyl methyl ether 72.3
    2,5,8-trioxanonane 122.35
    1-hexene 24.2
    2-isopropoxyethanol 177.49
    2,2,2-trifluoroethanol 437.37
    methyl butyrate 187.63

    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