Tramiprosate

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  • Identifiers

    CAS number
    3687-18-1

    Molecular formula
    C3H9NO3S

    SMILES
    C(CN)CS(=O)(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 81.81%
    Savory 25.48%
    Meaty 21.23%
    Sulfurous 20.7%
    Cooked 19.7%
    Fishy 18.82%
    Pungent 17.94%
    Roasted 15.12%
    Cheesy 13.44%
    Cabbage 11.49%

     

    Flavor
    Bitter 73.37%
    Odorless 32.63%
    Bland 29.7%
    Mild 21.38%
    Nitrile 20.78%
    Formyl 19.88%
    Gooseberry 19.49%
    Sweet-like 19.39%
    Taco 19.36%
    Cedarleaf 19.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -3.8

    pKa est.
    8.58 (weak base)

    Molecular weight
    139.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    385°C

    Flash point

    • 149.45 ˚C est.

    Solubility expt.

    • <0.3 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • Homotaurine
    • Tramiprosate
    • 3687-18-1
    • 3-aminopropanesulphonic acid
    • Alzhemed
    • 1-Propanesulfonic acid, 3-amino-
    • 3APS
    • 3-aminopropanesulfonic acid
    • 3-Aminopropane sulfonic acid
    • 3-aminopropylsulfonic acid
    • 3-APS
    • NC-531
    • Tramiprosato
    • NSC-77071
    • 5K8EAX0G53
    • DTXSID80190352
    • tramiprosatum
    • LU-02659
    • NC531 cpd
    • RefChem:898661
    • DTXCID90112843
    • LU02659
    • 222-977-4
    • 3-Amino-1-propanesulfonic acid
    • 3-aminopropane-1-sulfonic acid
    • Cerebril
    • 3-Aminopropanesulfonate
    • 3-Sulfopropylamine
    • 3-Aminopropiosulfonic Acid
    • Tramiprosate [USAN]
    • MFCD00008225
    • CHEMBL149082
    • NSC77071
    • Tramiprosate (USAN)
    • 3-Aminopropane-1-sulfonic Acid (Homotaurine)
    • NSC 77071
    • 3-Aminopropane-1-sulphonic acid
    • EINECS 222-977-4
    • Tramiprosate [USAN:INN]
    • UNII-5K8EAX0G53
    • AI3-52544
    • A20
    • Aminopropanesulfonic-3
    • Acamprosate impurity A
    • Homotaurine/Tramiprosate
    • Spectrum_001340
    • Tramiprosate (Standard)
    • Spectrum2_001409
    • Spectrum3_000924
    • Spectrum4_001023
    • Spectrum5_001319
    • TRAMIPROSATE [MI]
    • TRAMIPROSATE [INN]
    • 3-Aminopropylsulphonic acid
    • Acamprosate impurity A CRS
    • EC 222-977-4
    • Lopac0_000066
    • SCHEMBL26759
    • 3-ammoniopropane-1-sulfonate
    • KBioGR_001545
    • KBioSS_001820
    • MLS000028639
    • 3-aminopropane-1-sulfonicacid
    • DivK1c_000348
    • SCHEMBL512649
    • SPECTRUM1501125
    • TRAMIPROSATE [WHO-DD]
    • SPBio_001458
    • CHEBI:1457
    • orb1310202
    • SCHEMBL1760456
    • SCHEMBL7412308
    • 3-amino-1-propanesulphonic acid
    • SCHEMBL27526852
    • 3-amino-1-propane sulfonic acid
    • HMS501B10
    • KBio1_000348
    • KBio2_001820
    • KBio2_004388
    • KBio2_006956
    • KBio3_001928
    • 3-Amino-propane-1-sulfonic acid
    • NINDS_000348
    • Acamprosate Calcium EP Impurity A
    • GLXC-21529
    • HMS1921H05
    • HMS2235L19
    • HMS3372L06
    • BDBM50281573
    • CCG-39012
    • CPD-11725
    • EBC-03097
    • HB0866
    • HY-14602R
    • s5131
    • ZINC01529636
    • AKOS006221419
    • 3-Amino-1-propanesulfonic acid, 97%
    • CS-5741
    • DB06527
    • FH23857
    • GS-3103
    • IDI1_000348
    • NCGC00094904-01
    • NCGC00094904-02
    • HY-14602
    • SMR000059181
    • SY006704
    • DB-049023
    • A2602
    • NS00002904
    • EN300-94821
    • C03349
    • D06202
    • AB00052207_13
    • 687H181
    • F358464
    • ACAMPROSATE CALCIUM IMPURITY A [EP IMPURITY]
    • Q5891790
    • BRD-K82234479-001-09-4
    • Z1203578094
    • Acamprosate impurity A, European Pharmacopoeia (EP) Reference Standard
    • 3687-18-1

  • Applications

    Tramiprosate (CAS 3687-18-1) is primarily encountered in pharmaceutical research as a small, polar sulfonated amine used to study amyloid-beta aggregation and to explore structure-activity relationships in medicinal chemistry. It also serves as a building block or scaffold for the design of sulfonate-containing analogs and is evaluated in early pharmacokinetic and formulation studies within academic and industry settings. Additionally, it may be employed as an intermediate in the synthesis of related derivatives and other research chemicals, with use restricted to regulated laboratory contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.38
    methanol 18.66
    isopropanol 2.79
    water 106.44
    ethyl acetate 2.47
    n-propanol 3.24
    acetone 15.52
    n-butanol 2.04
    acetonitrile 3.93
    DMF 68.91
    toluene 0.81
    isobutanol 1.67
    1,4-dioxane 7.38
    methyl acetate 2.79
    THF 12.18
    2-butanone 3.82
    n-pentanol 1.41
    sec-butanol 1.74
    n-hexane 0.12
    ethylene glycol 31.18
    NMP 74.2
    cyclohexane 0.32
    DMSO 92.57
    n-butyl acetate 2.55
    n-octanol 1.82
    chloroform 0.73
    n-propyl acetate 1.47
    acetic acid 20.39
    dichloromethane 0.99
    cyclohexanone 12.39
    propylene glycol 15.69
    isopropyl acetate 1.88
    DMAc 53.69
    2-ethoxyethanol 14.3
    isopentanol 1.79
    n-heptane 0.28
    ethyl formate 8.69
    1,2-dichloroethane 1.37
    n-hexanol 2.9
    2-methoxyethanol 38.27
    isobutyl acetate 0.67
    tetrachloromethane 0.55
    n-pentyl acetate 1.97
    transcutol 12.65
    n-heptanol 2.49
    ethylbenzene 0.58
    MIBK 2.82
    2-propoxyethanol 13.77
    tert-butanol 3.98
    MTBE 0.83
    2-butoxyethanol 7.9
    propionic acid 7.31
    o-xylene 1.46
    formic acid 69.51
    diethyl ether 0.84
    m-xylene 1.09
    p-xylene 0.82
    chlorobenzene 1.02
    dimethyl carbonate 3.51
    n-octane 0.15
    formamide 63.73
    cyclopentanone 20.42
    2-pentanone 4.01
    anisole 1.9
    cyclopentyl methyl ether 3.03
    gamma-butyrolactone 23.05
    1-methoxy-2-propanol 17.0
    pyridine 4.61
    3-pentanone 2.63
    furfural 38.93
    n-dodecane 0.12
    diethylene glycol 31.13
    diisopropyl ether 0.43
    tert-amyl alcohol 2.79
    acetylacetone 12.88
    n-hexadecane 0.13
    acetophenone 5.03
    methyl propionate 3.25
    isopentyl acetate 2.15
    trichloroethylene 1.94
    n-nonanol 1.74
    cyclohexanol 2.5
    benzyl alcohol 3.82
    2-ethylhexanol 1.64
    isooctanol 1.72
    dipropyl ether 1.12
    1,2-dichlorobenzene 1.63
    ethyl lactate 4.52
    propylene carbonate 9.43
    n-methylformamide 31.57
    2-pentanol 1.08
    n-pentane 0.13
    1-propoxy-2-propanol 7.62
    1-methoxy-2-propyl acetate 5.57
    2-(2-methoxypropoxy) propanol 9.37
    mesitylene 1.06
    ε-caprolactone 8.75
    p-cymene 1.15
    epichlorohydrin 8.22
    1,1,1-trichloroethane 0.69
    2-aminoethanol 24.48
    morpholine-4-carbaldehyde 53.27
    sulfolane 50.81
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 3.5
    n-hexyl acetate 2.17
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 10.39
    sec-butyl acetate 0.81
    tert-butyl acetate 2.51
    decalin 0.17
    glycerin 45.92
    diglyme 18.59
    acrylic acid 12.35
    isopropyl myristate 1.12
    n-butyric acid 6.76
    acetyl acetate 3.58
    di(2-ethylhexyl) phthalate 3.29
    ethyl propionate 1.53
    nitromethane 32.56
    1,2-diethoxyethane 2.02
    benzonitrile 3.42
    trioctyl phosphate 2.31
    1-bromopropane 0.35
    gamma-valerolactone 40.07
    n-decanol 1.33
    triethyl phosphate 2.4
    4-methyl-2-pentanol 1.01
    propionitrile 1.51
    vinylene carbonate 9.78
    1,1,2-trichlorotrifluoroethane 22.63
    DMS 2.79
    cumene 0.62
    2-octanol 1.24
    2-hexanone 1.85
    octyl acetate 1.71
    limonene 1.43
    1,2-dimethoxyethane 15.18
    ethyl orthosilicate 1.85
    tributyl phosphate 2.13
    diacetone alcohol 9.37
    N,N-dimethylaniline 2.63
    acrylonitrile 4.17
    aniline 2.52
    1,3-propanediol 17.97
    bromobenzene 0.69
    dibromomethane 0.64
    1,1,2,2-tetrachloroethane 2.22
    2-methyl-cyclohexyl acetate 3.01
    tetrabutyl urea 4.82
    diisobutyl methanol 1.31
    2-phenylethanol 4.82
    styrene 0.58
    dioctyl adipate 2.35
    dimethyl sulfate 12.36
    ethyl butyrate 2.31
    methyl lactate 11.65
    butyl lactate 4.33
    diethyl carbonate 1.79
    propanediol butyl ether 8.6
    triethyl orthoformate 2.04
    p-tert-butyltoluene 1.09
    methyl 4-tert-butylbenzoate 7.58
    morpholine 7.77
    tert-butylamine 1.32
    n-dodecanol 1.02
    dimethoxymethane 14.38
    ethylene carbonate 6.58
    cyrene 18.06
    2-ethoxyethyl acetate 3.2
    2-ethylhexyl acetate 1.54
    1,2,4-trichlorobenzene 1.79
    4-methylpyridine 4.0
    dibutyl ether 0.72
    2,6-dimethyl-4-heptanol 1.31
    DEF 9.28
    dimethyl isosorbide 16.42
    tetrachloroethylene 2.61
    eugenol 9.7
    triacetin 4.57
    span 80 7.92
    1,4-butanediol 8.65
    1,1-dichloroethane 0.52
    2-methyl-1-pentanol 1.2
    methyl formate 29.83
    2-methyl-1-butanol 1.54
    n-decane 0.18
    butyronitrile 1.71
    3,7-dimethyl-1-octanol 1.47
    1-chlorooctane 0.5
    1-chlorotetradecane 0.28
    n-nonane 0.16
    undecane 0.14
    tert-butylcyclohexane 0.13
    cyclooctane 0.19
    cyclopentanol 4.97
    tetrahydropyran 1.99
    tert-amyl methyl ether 0.98
    2,5,8-trioxanonane 17.23
    1-hexene 0.25
    2-isopropoxyethanol 5.75
    2,2,2-trifluoroethanol 16.19
    methyl butyrate 2.87

    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