3-Carbamyl-1-methylpyridinium Chloride

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  • Identifiers

    CAS number
    1005-24-9

    Molecular formula
    C7H9ClN2O

    SMILES
    C[N+]1=CC=CC(=C1)C(=O)N.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 35.15%
    Roasted 31.42%
    Bitter 27.88%
    Burnt 26.21%
    Nutty 25.0%
    Grape 24.75%
    Animal 24.08%
    Meaty 23.27%
    Savory 22.65%
    Sweet 22.47%

     

    Flavor
    Bitter 39.56%
    Odorless 35.08%
    Phenolic 33.39%
    Mild 31.7%
    Nutty 28.21%
    Urine 22.35%
    Orange flower 22.03%
    Faint 21.94%
    Nitrile 21.73%
    Bread crust 21.58%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.18 (weak acid)

    Molecular weight
    172.61 g/mol

    Flash point

    • 115.25 ˚C est.

  • Synonyms

    • 3-Carbamyl-1-methylpyridinium chloride
    • 1-Methylnicotinamide chloride
    • RefChem:499560
    • 463-670-7
    • 686-866-6
    • 686-868-7
    • 686-869-2
    • 1005-24-9
    • 3-carbamoyl-1-methylpyridin-1-ium chloride
    • Trigonellamide chloride
    • 1-methylpyridin-1-ium-3-carboxamide;chloride
    • 3-Carbamoyl-1-methylpyridinium chloride
    • Pyridinium, 3-(aminocarbonyl)-1-methyl-, chloride
    • Pyridinium, 3-(aminocarbonyl)-1-methyl-, chloride (1:1)
    • MFCD00060042
    • L54XNJ1D5G
    • Nicotinamide methochloride
    • Nipecotamide methochloride
    • Nicotinamide methyl chloride
    • CHEMBL1209652
    • N-Methylnicotinamide chloride
    • UNII-L54XNJ1D5G
    • Pyridinium, 3-carbamoyl-1-methyl-, chloride
    • 1-Methylpyridine-3-carboxylic acid amide chloride
    • 3-(aminocarbonyl)-1-methyl-pyridinium chloride; Nicotinamide methochloride; Trigonellamide chloride; N-Methylnicotinamide chloride
    • Trionellamide chloride
    • MNA CHLORIDE
    • 1-Methylnicotine Chloride
    • TRIA-662 (Standard)
    • orb1302511
    • SCHEMBL5145685
    • METHYL NIACINAMIDE CHLORIDE
    • EINECS 213-901-0
    • TRIGONELLAMIDE CHLORIDE [MI]
    • N-Methylnicotinic acid amide chloride
    • AKOS003368476
    • EBC-616144
    • HY-113527R
    • MSK170270-1000P
    • AS-69860
    • SY106190
    • 3-carbamoyl-1-methylpyridin-1-iumchloride
    • HY-113527
    • CS-0062648
    • M0375
    • NS00073960
    • D91325
    • 1-Methylnicotinamide chloride, analytical standard
    • Q27282725
    • 1-Methylnicotinamide chloride Solution in Isopropanol, 1000ug/mL
    • 1-Methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl)naphtho(1,2-d)thiazolium chloride
    • 1005-24-9

  • Applications

    3-Carbamyl-1-methylpyridinium chloride is primarily used as an intermediate and reagent in organic synthesis. It can act as a carbamylating agent to introduce the carbamyl group onto amines, forming ureas or carbamates, and serves as a precursor for N-methylpyridinium-based units used in synthesis. In industrial contexts, it is evaluated as a phase-transfer catalyst and as a precursor for pyridinium-based ionic liquids, which can be employed in polymer processing and coating formulations. It may also be used as an additive in polymer processing and coating formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.9
    methanol 76.12
    isopropanol 20.84
    water 53.4
    ethyl acetate 12.79
    n-propanol 26.89
    acetone 22.43
    n-butanol 17.96
    acetonitrile 12.37
    DMF 148.57
    toluene 6.87
    isobutanol 17.38
    1,4-dioxane 23.75
    methyl acetate 15.73
    THF 53.94
    2-butanone 20.31
    n-pentanol 11.82
    sec-butanol 13.82
    n-hexane 0.34
    ethylene glycol 52.91
    NMP 106.85
    cyclohexane 0.26
    DMSO 112.28
    n-butyl acetate 8.71
    n-octanol 5.36
    chloroform 24.87
    n-propyl acetate 5.89
    acetic acid 33.91
    dichloromethane 22.19
    cyclohexanone 28.8
    propylene glycol 33.1
    isopropyl acetate 6.67
    DMAc 129.24
    2-ethoxyethanol 32.65
    isopentanol 13.13
    n-heptane 0.66
    ethyl formate 20.86
    1,2-dichloroethane 12.54
    n-hexanol 18.13
    2-methoxyethanol 85.31
    isobutyl acetate 4.55
    tetrachloromethane 6.83
    n-pentyl acetate 6.02
    transcutol 21.25
    n-heptanol 9.73
    ethylbenzene 3.22
    MIBK 9.8
    2-propoxyethanol 45.12
    tert-butanol 19.47
    MTBE 6.18
    2-butoxyethanol 23.15
    propionic acid 31.59
    o-xylene 6.46
    formic acid 94.88
    diethyl ether 4.35
    m-xylene 8.16
    p-xylene 4.78
    chlorobenzene 10.1
    dimethyl carbonate 12.75
    n-octane 0.33
    formamide 68.6
    cyclopentanone 53.77
    2-pentanone 14.5
    anisole 9.15
    cyclopentyl methyl ether 18.13
    gamma-butyrolactone 63.06
    1-methoxy-2-propanol 46.38
    pyridine 24.26
    3-pentanone 10.88
    furfural 66.98
    n-dodecane 0.29
    diethylene glycol 62.52
    diisopropyl ether 1.71
    tert-amyl alcohol 15.54
    acetylacetone 15.4
    n-hexadecane 0.32
    acetophenone 14.08
    methyl propionate 20.9
    isopentyl acetate 8.58
    trichloroethylene 29.94
    n-nonanol 4.84
    cyclohexanol 11.4
    benzyl alcohol 16.67
    2-ethylhexanol 8.59
    isooctanol 7.26
    dipropyl ether 4.95
    1,2-dichlorobenzene 11.18
    ethyl lactate 12.34
    propylene carbonate 27.19
    n-methylformamide 85.47
    2-pentanol 7.98
    n-pentane 0.32
    1-propoxy-2-propanol 23.76
    1-methoxy-2-propyl acetate 16.02
    2-(2-methoxypropoxy) propanol 15.86
    mesitylene 4.49
    ε-caprolactone 24.57
    p-cymene 4.32
    epichlorohydrin 47.95
    1,1,1-trichloroethane 12.66
    2-aminoethanol 57.46
    morpholine-4-carbaldehyde 72.24
    sulfolane 79.58
    2,2,4-trimethylpentane 0.5
    2-methyltetrahydrofuran 23.71
    n-hexyl acetate 6.8
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 17.59
    sec-butyl acetate 4.05
    tert-butyl acetate 7.58
    decalin 0.55
    glycerin 71.15
    diglyme 30.99
    acrylic acid 35.11
    isopropyl myristate 2.96
    n-butyric acid 29.01
    acetyl acetate 7.84
    di(2-ethylhexyl) phthalate 7.39
    ethyl propionate 7.11
    nitromethane 52.35
    1,2-diethoxyethane 4.87
    benzonitrile 15.39
    trioctyl phosphate 5.27
    1-bromopropane 5.4
    gamma-valerolactone 62.46
    n-decanol 3.62
    triethyl phosphate 7.19
    4-methyl-2-pentanol 6.29
    propionitrile 14.0
    vinylene carbonate 28.19
    1,1,2-trichlorotrifluoroethane 60.44
    DMS 8.65
    cumene 3.26
    2-octanol 4.54
    2-hexanone 7.82
    octyl acetate 4.65
    limonene 5.03
    1,2-dimethoxyethane 32.31
    ethyl orthosilicate 6.41
    tributyl phosphate 5.27
    diacetone alcohol 19.96
    N,N-dimethylaniline 9.37
    acrylonitrile 25.09
    aniline 16.33
    1,3-propanediol 50.49
    bromobenzene 8.26
    dibromomethane 11.98
    1,1,2,2-tetrachloroethane 25.35
    2-methyl-cyclohexyl acetate 8.66
    tetrabutyl urea 8.13
    diisobutyl methanol 4.79
    2-phenylethanol 17.97
    styrene 3.23
    dioctyl adipate 5.12
    dimethyl sulfate 36.88
    ethyl butyrate 7.43
    methyl lactate 25.84
    butyl lactate 9.72
    diethyl carbonate 5.75
    propanediol butyl ether 15.95
    triethyl orthoformate 6.29
    p-tert-butyltoluene 4.2
    methyl 4-tert-butylbenzoate 16.09
    morpholine 34.31
    tert-butylamine 7.37
    n-dodecanol 2.64
    dimethoxymethane 37.92
    ethylene carbonate 20.08
    cyrene 27.6
    2-ethoxyethyl acetate 8.48
    2-ethylhexyl acetate 6.6
    1,2,4-trichlorobenzene 14.34
    4-methylpyridine 25.27
    dibutyl ether 2.08
    2,6-dimethyl-4-heptanol 4.79
    DEF 26.63
    dimethyl isosorbide 27.58
    tetrachloroethylene 19.85
    eugenol 17.87
    triacetin 8.45
    span 80 13.05
    1,4-butanediol 22.41
    1,1-dichloroethane 13.06
    2-methyl-1-pentanol 9.36
    methyl formate 51.55
    2-methyl-1-butanol 14.03
    n-decane 0.43
    butyronitrile 12.2
    3,7-dimethyl-1-octanol 5.16
    1-chlorooctane 2.15
    1-chlorotetradecane 0.91
    n-nonane 0.38
    undecane 0.35
    tert-butylcyclohexane 0.67
    cyclooctane 0.22
    cyclopentanol 22.96
    tetrahydropyran 11.74
    tert-amyl methyl ether 6.39
    2,5,8-trioxanonane 22.98
    1-hexene 1.45
    2-isopropoxyethanol 17.46
    2,2,2-trifluoroethanol 33.82
    methyl butyrate 10.39

    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