3-Chloro-N,N-dimethyl-1-propanamine

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  • Identifiers

    CAS number
    109-54-6

    Molecular formula
    C5H12ClN

    SMILES
    CN(C)CCCCl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 79.4%
    Cheesy 71.58%
    Ripe 58.27%
    Oily 29.12%
    Animal 26.35%
    Odorless 22.4%
    Fresh 22.29%
    Musty 20.41%
    Sweet 19.58%
    Pungent 19.44%

     

    Flavor
    Sulfurous 34.1%
    Fishy 32.47%
    Sulfury 27.26%
    Meaty 26.95%
    Onion 24.5%
    Mild 23.25%
    Glue 21.93%
    Bloody 21.86%
    Ammoniacal 21.67%
    Skunky 21.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.79 (neutral)

    Molecular weight
    121.61 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    136°C

    Flash point

    • 29.5 ˚C est.

  • Synonyms

    • 109-54-6
    • Dimethylaminopropyl chloride
    • 3-Chloro-N,N-dimethyl-1-propanamine
    • G41F3T7H6Q
    • DTXSID5043849
    • RefChem:495077
    • DTXCID3023849
    • 3-chloro-N,N-dimethylpropan-1-amine
    • 3-Chloro-1-(N,N-dimethyl)propylamine
    • (3-chloropropyl)dimethylamine
    • MFCD00044496
    • 1-Propanamine, 3-chloro-N,N-dimethyl-
    • 3-DIMETHYLAMINOPROPYL CHLORIDE
    • 3-chloro-N,N-dimethyl-propan-1-amine
    • N-(3-chloropropyl)dimethylamine
    • (3-chloro-propyl)-dimethyl-amine
    • 3-dimethylaminopropylchloride
    • 1-dimethylamino-3-chloropropane
    • 3-(dimethylamino)propyl chloride
    • 3-Chloropropyl(dimethyl)amine
    • N,N-dimethyl-3-chloropropylamine
    • EINECS 203-679-3
    • Clomipramine Impurity 4
    • dimethylaminopropylchloride
    • dimethylaminoproyl chloride
    • 3-chloropropyldimethylamine
    • SCHEMBL648
    • dimethylamino-propylchloride
    • 3-chlorodimethylaminopropane
    • EC 203-679-3
    • dimethylamino propyl chloride
    • UNII-G41F3T7H6Q
    • 3-dimethylaminoproyl chloride
    • MLS004774037
    • SCHEMBL210081
    • 1chloro-3-dimethylaminopropane
    • N,N-dimethylaminopropylchloride
    • 3-(dimethylamino)propylchloride
    • 3-di-methylaminopropyl chloride
    • CHEMBL449411
    • 1-chloro-3-dimethylaminopropane
    • 3-(dimethyiamino)propyl chloride
    • 3-dimethylamino-1-propylchloride
    • 3-dimethylamino1-propyl chloride
    • gamma-dimethylaminopropyl chloride
    • 1-dimethylamino-3-chloro-propane
    • 3-Chloro-N,N-dimethylpropylamine
    • [3-(dimethylamino)propyl]chloride
    • 3-(dimethylamino) propyl chloride
    • 3-dimethylamino-1-propyl chloride
    • [3-(dimethylamino)-propyl]chloride
    • [3-(dimethylamino)propyl]-chloride
    • STK802325
    • 3-(N,N-dimethylamino)propyl chloride
    • AKOS005622568
    • N-(3-Chloropropyl)-N,N-dimethylamine
    • CS-W004690
    • GS-4387
    • 3-chloro-N,N-dimethyl propane-1-amine
    • 1-chloro-3-(N,N-dimethylamino)-propane
    • NCGC00091536-02
    • FC140337
    • N-(3-Chloropropyl)-N,N-dimethylamine #
    • SMR003500709
    • SY021395
    • NS00004050
    • EN300-54528
    • F076488
    • BENZYDAMINE HYDROCHLORIDE IMPURITY G [EP IMPURITY]
    • 109-54-6

  • Applications

    3-Chloro-N,N-dimethyl-1-propanamine (CAS 109-54-6) is mainly used as an organic synthesis intermediate, enabling the preparation of N,N-dialkylpropylamine derivatives and quaternary ammonium salts. Its chloromethyl functionality makes it a versatile building block for routes to pharmaceuticals and agrochemicals, as well as functional modifiers for polymers and coatings. It may serve in the production of cationic surfactants and specialty cleaners, and can be a precursor for adhesive and plastic formulations through subsequent amination or salt-formation steps. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 290.58
    methanol 389.77
    isopropanol 166.3
    water 30.72
    ethyl acetate 95.09
    n-propanol 233.45
    acetone 122.51
    n-butanol 199.37
    acetonitrile 107.55
    DMF 194.19
    toluene 47.73
    isobutanol 143.35
    1,4-dioxane 195.84
    methyl acetate 118.48
    THF 247.16
    2-butanone 123.48
    n-pentanol 106.9
    sec-butanol 170.92
    n-hexane 19.54
    ethylene glycol 167.33
    NMP 254.13
    cyclohexane 47.73
    DMSO 159.09
    n-butyl acetate 133.21
    n-octanol 65.6
    chloroform 485.08
    n-propyl acetate 64.3
    acetic acid 536.34
    dichloromethane 306.72
    cyclohexanone 193.82
    propylene glycol 165.1
    isopropyl acetate 46.35
    DMAc 183.93
    2-ethoxyethanol 166.69
    isopentanol 109.51
    n-heptane 43.77
    ethyl formate 108.55
    1,2-dichloroethane 145.62
    n-hexanol 174.09
    2-methoxyethanol 306.86
    isobutyl acetate 46.82
    tetrachloromethane 170.31
    n-pentyl acetate 70.01
    transcutol 330.98
    n-heptanol 91.4
    ethylbenzene 22.26
    MIBK 34.2
    2-propoxyethanol 224.29
    tert-butanol 156.23
    MTBE 80.59
    2-butoxyethanol 156.7
    propionic acid 249.39
    o-xylene 44.97
    formic acid 293.3
    diethyl ether 85.51
    m-xylene 31.35
    p-xylene 37.54
    chlorobenzene 94.95
    dimethyl carbonate 30.15
    n-octane 11.53
    formamide 184.68
    cyclopentanone 204.58
    2-pentanone 73.8
    anisole 55.51
    cyclopentyl methyl ether 112.81
    gamma-butyrolactone 225.36
    1-methoxy-2-propanol 169.34
    pyridine 190.66
    3-pentanone 70.7
    furfural 277.14
    n-dodecane 7.53
    diethylene glycol 208.22
    diisopropyl ether 20.22
    tert-amyl alcohol 152.7
    acetylacetone 63.69
    n-hexadecane 8.11
    acetophenone 64.95
    methyl propionate 83.11
    isopentyl acetate 92.01
    trichloroethylene 330.28
    n-nonanol 56.27
    cyclohexanol 181.09
    benzyl alcohol 79.4
    2-ethylhexanol 109.68
    isooctanol 64.29
    dipropyl ether 98.47
    1,2-dichlorobenzene 89.23
    ethyl lactate 57.26
    propylene carbonate 134.58
    n-methylformamide 164.66
    2-pentanol 99.57
    n-pentane 27.2
    1-propoxy-2-propanol 177.99
    1-methoxy-2-propyl acetate 88.41
    2-(2-methoxypropoxy) propanol 102.9
    mesitylene 19.75
    ε-caprolactone 170.39
    p-cymene 43.66
    epichlorohydrin 189.59
    1,1,1-trichloroethane 189.23
    2-aminoethanol 240.86
    morpholine-4-carbaldehyde 231.15
    sulfolane 246.68
    2,2,4-trimethylpentane 15.8
    2-methyltetrahydrofuran 206.29
    n-hexyl acetate 83.25
    isooctane 7.2
    2-(2-butoxyethoxy)ethanol 140.75
    sec-butyl acetate 39.17
    tert-butyl acetate 45.65
    decalin 13.81
    glycerin 217.4
    diglyme 230.77
    acrylic acid 263.34
    isopropyl myristate 31.13
    n-butyric acid 244.86
    acetyl acetate 70.39
    di(2-ethylhexyl) phthalate 47.74
    ethyl propionate 50.63
    nitromethane 254.52
    1,2-diethoxyethane 100.16
    benzonitrile 95.03
    trioctyl phosphate 35.1
    1-bromopropane 116.67
    gamma-valerolactone 237.49
    n-decanol 40.49
    triethyl phosphate 52.33
    4-methyl-2-pentanol 41.23
    propionitrile 108.38
    vinylene carbonate 144.75
    1,1,2-trichlorotrifluoroethane 313.93
    DMS 55.68
    cumene 20.59
    2-octanol 48.89
    2-hexanone 60.43
    octyl acetate 47.52
    limonene 71.95
    1,2-dimethoxyethane 155.4
    ethyl orthosilicate 54.77
    tributyl phosphate 40.5
    diacetone alcohol 77.82
    N,N-dimethylaniline 47.74
    acrylonitrile 129.94
    aniline 121.94
    1,3-propanediol 228.32
    bromobenzene 78.41
    dibromomethane 223.36
    1,1,2,2-tetrachloroethane 287.96
    2-methyl-cyclohexyl acetate 80.35
    tetrabutyl urea 50.99
    diisobutyl methanol 48.85
    2-phenylethanol 102.4
    styrene 31.4
    dioctyl adipate 53.58
    dimethyl sulfate 54.42
    ethyl butyrate 87.77
    methyl lactate 74.85
    butyl lactate 77.34
    diethyl carbonate 59.35
    propanediol butyl ether 122.6
    triethyl orthoformate 74.98
    p-tert-butyltoluene 43.08
    methyl 4-tert-butylbenzoate 75.71
    morpholine 253.11
    tert-butylamine 105.45
    n-dodecanol 31.28
    dimethoxymethane 80.65
    ethylene carbonate 106.12
    cyrene 91.39
    2-ethoxyethyl acetate 84.69
    2-ethylhexyl acetate 87.78
    1,2,4-trichlorobenzene 125.44
    4-methylpyridine 142.78
    dibutyl ether 55.87
    2,6-dimethyl-4-heptanol 48.85
    DEF 107.01
    dimethyl isosorbide 138.35
    tetrachloroethylene 266.59
    eugenol 86.17
    triacetin 87.39
    span 80 116.73
    1,4-butanediol 98.86
    1,1-dichloroethane 172.97
    2-methyl-1-pentanol 77.59
    methyl formate 118.87
    2-methyl-1-butanol 132.69
    n-decane 12.7
    butyronitrile 109.76
    3,7-dimethyl-1-octanol 57.69
    1-chlorooctane 37.81
    1-chlorotetradecane 15.65
    n-nonane 13.09
    undecane 9.19
    tert-butylcyclohexane 14.92
    cyclooctane 13.43
    cyclopentanol 205.94
    tetrahydropyran 195.89
    tert-amyl methyl ether 72.14
    2,5,8-trioxanonane 159.69
    1-hexene 47.25
    2-isopropoxyethanol 104.13
    2,2,2-trifluoroethanol 218.38
    methyl butyrate 71.39

    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