Bupropion Hydrochloride

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  • Identifiers

    CAS number
    31677-93-7

    Molecular formula
    C13H19Cl2NO

    SMILES
    CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 36.23%
    Woody 33.49%
    Grapefruit 32.81%
    Odorless 29.74%
    Citrus 28.88%
    Animal 28.01%
    Mint 27.01%
    Dry 26.96%
    Cooling 26.37%
    Musk 23.46%

     

    Flavor
    Bitter 45.94%
    Odorless 28.37%
    Mild 24.86%
    Bland 22.73%
    Cedarleaf 19.51%
    Nitrile 19.51%
    Green pepper 19.45%
    Broom 19.14%
    Heather 19.11%
    Genet 18.61%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.16 (neutral)

    Molecular weight
    276.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 131.03 ˚C est.

  • Synonyms

    • Bupropion hydrochloride
    • 31677-93-7
    • Bupropion Hcl
    • Amfebutamone hydrochloride
    • Wellbutrin XL
    • Wellbutrin SR
    • Forfivo XL
    • Mysimba
    • Budeprion XL
    • BW 323
    • ZG7E5POY8O
    • NSC-315851
    • DTXSID6044561
    • BW323
    • BW-323
    • DTXCID4024561
    • NSC315851
    • CONTRAVE COMPONENT BUPROPION HYDROCHLORIDE
    • Appbutamone
    • Forfivo
    • extended-release
    • Appbutamone-D
    • Bupropion XL
    • Wellbutrin 75
    • Wellbutrin 100
    • RefChem:5625
    • BUPROPION HCL ER
    • buPROpion HydrochlorideXL
    • Bupropion Hydrochloride ER
    • Bupropion Hydrochloride SR
    • Bupropion Hydrochloride XL
    • Bupropion HCL ER (XL)
    • BUPROPION HCL ER XL
    • Bupropion Hydrochloridexl XL
    • Bupropion Hydrochloride (sr)
    • Bupropion Hydrochloride (xl)
    • BUPROPION HCL ER (SR)
    • Bupropion Hydrochloride SR (sr)
    • BW 323U66
    • Bupropion Hydrochloride Extended Release
    • BUPROPION HYDROCHLORIDE, TYROSINE
    • Bupropion Hydrochloride Extended Release (xl)
    • (+-)-1-(3-Chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone Hydrochloride
    • 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one hydrochloride
    • Wellbutrin
    • Zyban
    • Budeprion
    • Amfebutamone (Bupropion) HCl
    • Wellbatrin
    • 2-(tert-Butylamino)-3'-chloropropiophenone hydrochloride
    • Bupropion SR
    • Bupropion (hydrochloride)
    • MFCD00055209
    • 31677-93-7 (HCl)
    • Bupropion.HCl
    • 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride
    • 1-(3-CHLOROPHENYL)-2-[(1,1-DIMETHYLETHYL)AMINO]-1-PROPANONE HYDROCHLORIDE
    • 234447-17-7
    • Bupropion hydrochloride 100 microg/mL in Acetonitrile
    • Zyban (pharmaceutical)
    • Voxra
    • (+/-)-Bupropion; Amfebutamon; Amfebutamone; Aplenzin; Bupropion SR; Bupropion XL
    • 1-Propanone, 1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]-, hydrochloride (1:1), (-)-
    • SMR000058423
    • Budeprion XL 300
    • Amfebutamon hydrochloride
    • SR-01000002989
    • EINECS 250-759-9
    • UNII-ZG7E5POY8O
    • NSC 315851
    • Quomem
    • Bupropion hydrochloride [USAN]
    • Wellbutrin XR
    • Wellbutrin Retard
    • Wellbutrin (TN)
    • Prestwick_668
    • EINECS 252-243-9
    • Zyban (TN)
    • m-Chloro-alpha-tert-butylaminopropiophenone hydrochloride
    • alpha-(tert-Butylamino)-m-chloropropiophenone hydrochloride
    • m-Chloro-alpha-tert-butylaminopropionphenone hydrochloride
    • Bupropion hydrochloride [USAN:USP:JAN]
    • (+-)-2-(tert-Butylamino)-3'-chloropropiophenone hydrochloride
    • (+-)-alpha-tert-Butylamino-3-chloropropiophenone hydrochloride
    • Amfebutamone (Bupropion)
    • NCGC00016807-01
    • CAS-31677-93-7
    • CHEMBL1698
    • SCHEMBL41602
    • MLS000069376
    • MLS001401370
    • MLS002320678
    • SPECTRUM1504174
    • CHEBI:3220
    • SCHEMBL29420039
    • HY-B0403A
    • BVF 033
    • BW 322U
    • CPI-300
    • GLXC-07735
    • HMS1568B20
    • HMS1922F09
    • HMS5081I05
    • Pharmakon1600-01504174
    • Bupropion HCl - Bio-X trade mark
    • Bupropion hydrochloride (JAN/USP)
    • BB_NC-02708
    • MSK10349
    • BUPROPION HYDROCHLORIDE [MI]
    • Tox21_110621
    • Tox21_301844
    • Tox21_500166
    • AC-196
    • BUPROPION HYDROCHLORIDE [JAN]
    • BW-323U66
    • CCG-39085
    • EBC-03692
    • NSC758686
    • Propiophenone, 2-(tert-butylamino)-3'-chloro-, hydrochloride, (+-)-
    • BUPROPION HYDROCHLORIDE [HSDB]
    • AKOS015844544
    • Tox21_110621_1
    • AB02273
    • BUPROPION HYDROCHLORIDE [MART.]
    • BUPROPION HYDROCHLORIDE [VANDF]
    • CCG-100911
    • FB61552
    • 31677-93-7

  • Applications

    Bupropion Hydrochloride (CAS 31677-93-7) is primarily used as an active pharmaceutical ingredient (API) in prescription medications for depression and smoking cessation. The hydrochloride salt form is commonly employed to improve water solubility and facilitate formulation of solid dosage forms such as tablets and capsules. In medicinal chemistry and drug discovery, it can serve as a starting material or reference scaffold for the design and synthesis of related norepinephrine‑dopamine reuptake inhibitors. During pharmaceutical development and manufacturing, it is handled as part of process development, scale‑up, and quality control for drug products. In research settings, it may be used as a model compound for analytical method development and pharmacological studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 154.26
    methanol 214.79
    isopropanol 96.9
    water 1.95
    ethyl acetate 115.6
    n-propanol 122.73
    acetone 157.88
    n-butanol 130.31
    acetonitrile 78.25
    DMF 485.33
    toluene 111.83
    isobutanol 99.86
    1,4-dioxane 259.1
    methyl acetate 134.48
    THF 392.58
    2-butanone 146.63
    n-pentanol 107.56
    sec-butanol 97.58
    n-hexane 15.8
    ethylene glycol 55.24
    NMP 416.63
    cyclohexane 22.38
    DMSO 224.88
    n-butyl acetate 151.3
    n-octanol 95.86
    chloroform 467.11
    n-propyl acetate 97.82
    acetic acid 194.6
    dichloromethane 323.38
    cyclohexanone 248.11
    propylene glycol 93.23
    isopropyl acetate 90.64
    DMAc 514.2
    2-ethoxyethanol 152.32
    isopentanol 114.78
    n-heptane 16.96
    ethyl formate 112.92
    1,2-dichloroethane 182.69
    n-hexanol 170.85
    2-methoxyethanol 227.64
    isobutyl acetate 93.4
    tetrachloromethane 51.65
    n-pentyl acetate 97.57
    transcutol 418.92
    n-heptanol 92.87
    ethylbenzene 70.47
    MIBK 97.49
    2-propoxyethanol 253.81
    tert-butanol 129.22
    MTBE 125.96
    2-butoxyethanol 146.94
    propionic acid 114.65
    o-xylene 84.46
    formic acid 96.28
    diethyl ether 98.83
    m-xylene 95.48
    p-xylene 94.75
    chlorobenzene 142.0
    dimethyl carbonate 78.83
    n-octane 9.75
    formamide 81.08
    cyclopentanone 270.76
    2-pentanone 121.66
    anisole 135.64
    cyclopentyl methyl ether 177.77
    gamma-butyrolactone 285.83
    1-methoxy-2-propanol 171.16
    pyridine 179.89
    3-pentanone 109.54
    furfural 301.62
    n-dodecane 9.08
    diethylene glycol 197.06
    diisopropyl ether 42.65
    tert-amyl alcohol 113.21
    acetylacetone 152.39
    n-hexadecane 10.08
    acetophenone 140.91
    methyl propionate 114.72
    isopentyl acetate 155.34
    trichloroethylene 399.14
    n-nonanol 86.28
    cyclohexanol 141.56
    benzyl alcohol 129.25
    2-ethylhexanol 104.65
    isooctanol 72.59
    dipropyl ether 93.21
    1,2-dichlorobenzene 138.42
    ethyl lactate 86.07
    propylene carbonate 222.85
    n-methylformamide 136.05
    2-pentanol 83.59
    n-pentane 12.94
    1-propoxy-2-propanol 180.42
    1-methoxy-2-propyl acetate 178.03
    2-(2-methoxypropoxy) propanol 152.22
    mesitylene 55.28
    ε-caprolactone 226.66
    p-cymene 58.61
    epichlorohydrin 287.3
    1,1,1-trichloroethane 181.22
    2-aminoethanol 104.75
    morpholine-4-carbaldehyde 398.85
    sulfolane 315.22
    2,2,4-trimethylpentane 14.23
    2-methyltetrahydrofuran 228.29
    n-hexyl acetate 138.43
    isooctane 9.68
    2-(2-butoxyethoxy)ethanol 189.32
    sec-butyl acetate 81.74
    tert-butyl acetate 115.57
    decalin 18.91
    glycerin 119.07
    diglyme 300.57
    acrylic acid 116.52
    isopropyl myristate 63.93
    n-butyric acid 149.42
    acetyl acetate 107.32
    di(2-ethylhexyl) phthalate 80.87
    ethyl propionate 87.69
    nitromethane 201.27
    1,2-diethoxyethane 166.01
    benzonitrile 146.43
    trioctyl phosphate 58.61
    1-bromopropane 116.92
    gamma-valerolactone 377.94
    n-decanol 67.6
    triethyl phosphate 74.01
    4-methyl-2-pentanol 64.1
    propionitrile 80.31
    vinylene carbonate 191.54
    1,1,2-trichlorotrifluoroethane 262.54
    DMS 120.48
    cumene 54.32
    2-octanol 65.21
    2-hexanone 103.7
    octyl acetate 85.62
    limonene 81.6
    1,2-dimethoxyethane 252.45
    ethyl orthosilicate 77.15
    tributyl phosphate 67.49
    diacetone alcohol 140.28
    N,N-dimethylaniline 111.54
    acrylonitrile 95.36
    aniline 122.75
    1,3-propanediol 124.06
    bromobenzene 138.6
    dibromomethane 218.95
    1,1,2,2-tetrachloroethane 351.26
    2-methyl-cyclohexyl acetate 118.09
    tetrabutyl urea 87.9
    diisobutyl methanol 59.19
    2-phenylethanol 150.82
    styrene 81.57
    dioctyl adipate 97.47
    dimethyl sulfate 126.11
    ethyl butyrate 112.14
    methyl lactate 100.73
    butyl lactate 105.19
    diethyl carbonate 87.71
    propanediol butyl ether 166.12
    triethyl orthoformate 100.25
    p-tert-butyltoluene 60.6
    methyl 4-tert-butylbenzoate 131.98
    morpholine 275.48
    tert-butylamine 89.37
    n-dodecanol 53.15
    dimethoxymethane 206.11
    ethylene carbonate 160.77
    cyrene 171.57
    2-ethoxyethyl acetate 136.62
    2-ethylhexyl acetate 128.74
    1,2,4-trichlorobenzene 168.06
    4-methylpyridine 235.66
    dibutyl ether 85.16
    2,6-dimethyl-4-heptanol 59.19
    DEF 177.58
    dimethyl isosorbide 246.93
    tetrachloroethylene 207.49
    eugenol 145.95
    triacetin 143.33
    span 80 147.46
    1,4-butanediol 80.23
    1,1-dichloroethane 186.49
    2-methyl-1-pentanol 105.34
    methyl formate 129.47
    2-methyl-1-butanol 110.74
    n-decane 15.01
    butyronitrile 102.7
    3,7-dimethyl-1-octanol 86.83
    1-chlorooctane 63.49
    1-chlorotetradecane 26.69
    n-nonane 14.27
    undecane 11.18
    tert-butylcyclohexane 19.63
    cyclooctane 9.43
    cyclopentanol 130.68
    tetrahydropyran 208.3
    tert-amyl methyl ether 112.37
    2,5,8-trioxanonane 224.81
    1-hexene 60.07
    2-isopropoxyethanol 121.7
    2,2,2-trifluoroethanol 93.27
    methyl butyrate 121.33

    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