Beta-Guanidinopropionic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    353-09-3

    Molecular formula
    C4H9N3O2

    SMILES
    C(CN=C(N)N)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 63.71%
    Meaty 37.19%
    Savory 32.83%
    Fishy 27.48%
    Cheesy 26.85%
    Cooked 22.29%
    Pungent 20.15%
    Roasted 19.45%
    Sulfurous 19.35%
    Ripe 18.37%

     

    Flavor
    Odorless 59.1%
    Mild 32.97%
    Bland 23.69%
    Yeast 22.72%
    Faint 22.51%
    Sour 22.38%
    Very mild 21.19%
    Mousy 20.74%
    Cooked 20.65%
    Formyl 20.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.8

    pKa est.
    8.24 (weak base)

    Molecular weight
    131.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    350°C

    Flash point

    • 165.51 ˚C est.

  • Synonyms

    • 353-09-3
    • beta-Guanidinopropionic acid
    • Guanidinopropionic acid
    • Ompenaclid
    • 3-carbamimidamidopropanoic acid
    • beta-GPA
    • amidino beta-alanine
    • N-(Aminoiminomethyl)-beta-alanine
    • ORISTAR GPA
    • PNU-10483
    • RGX202
    • UL1984YRKA
    • Rgx 202
    • DTXSID40188795
    • 3-((diaminomethylidene)amino)propanoic acid
    • 3-[(diaminomethylidene)amino]propanoic acid
    • beta-guanidine propionic acid
    • RefChem:782874
    • SLC6A8 Inhibitor RGX-202
    • DTXCID00111286
    • 206-530-0
    • RGX-202-01
    • 3-Guanidinopropionic acid
    • 3-guanidinopropanoic acid
    • 3-Guanidinopropanoate
    • RGX-202
    • 3-(diaminomethylideneamino)propanoic acid
    • MFCD00045939
    • b-Alanine, N-(aminoiminomethyl)-
    • Beta-Guanadinopropionate
    • 3-guanidinopropanoicacid
    • 3-Guanidino-propionic acid
    • CHEMBL20489
    • N-(Aminomethyl)-beta-alanine
    • EINECS 206-530-0
    • |A-Guanidinopropionic acid
    • UNII-UL1984YRKA
    • ompenaclid [INN]
    • b-Guanidinopropionate
    • guanidinepropanoicacid
    • guanidinopropionicacid
    • guanidinopropionic-acid
    • n-amidino-beta-alanin
    • Guanidinoproprionic-beta
    • Ompenaclid [WHO-DD]
    • Ompenaclid (USAN/INN)
    • OMPENACLID [USAN]
    • 3-Guanidinopropionic acid?
    • ss--Guanidinopropionic acid
    • N-carbamimidoyl-beta-alanine
    • A1D9S
    • SCHEMBL33761
    • SCHEMBL66712
    • beta-Guanidinopropionic acid.
    • .beta.-Guanidinopropionic acid
    • AMIDINO .BETA.-ALANINE
    • N-carbamimidoyl-.beta.-alanine
    • GTPL4707
    • orb1299731
    • n-(aminoiminomethyl)beta-alanine
    • CHEBI:15968
    • n-(aminoiminomethyl)-beta-alanin
    • |A-GPA,PNU 10483
    • dl-.beta.-Guanidino propionic acid
    • N-(Diaminomethylidene)-beta-alanine
    • 3-(carbamimidoylamino)propanoic acid
    • BDBM50021610
    • beta-Alanine, N-(aminoiminomethyl)-
    • EBC-50068
    • N-[Amino(imino)methyl]-beta-alanine
    • PDSP1_000138
    • PDSP2_000137
    • RGX-202; 3-Guanidinopropionic acid
    • AKOS006223011
    • CS-W016544
    • FG38106
    • GS-6269
    • HY-W015828
    • .beta.-Alanine, N-(aminoiminomethyl)-
    • N-[Amino(imino)methyl]-beta-alanine #
    • SY066704
    • DB-006453
    • A3421
    • NS00029831
    • EN300-61035
    • 53G093
    • C03065
    • D12779
    • H10255
    • F242928
    • Q5613765
    • 3-Guanidinopropionic acid, puriss., >=99.0% (NT)
    • BRD-K50781608-001-02-1
    • Z959165114
    • 353-09-3

  • Applications

    Beta-Guanidinopropionic acid (CAS 353-09-3) is primarily used as a guanidinium-containing synthetic intermediate, serving as a building block for guanidine-containing compounds in pharmaceutical and chemical research and development. It may be employed in medicinal and biochemical research as a precursor for the synthesis of guanidine derivatives and related leads. In biochemical studies, it is used as a creatine pathway analog to investigate the metabolism and transport of creatine. In polymer and materials science, it can serve as a starting material for guanidinium-functional polymers or as a functionalizing reagent. In analytical chemistry, it is used as a reference standard for assays that quantify guanidino compounds in biological or environmental samples.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.51
    methanol 12.73
    isopropanol 2.02
    water 163.16
    ethyl acetate 1.28
    n-propanol 2.64
    acetone 3.01
    n-butanol 1.65
    acetonitrile 1.9
    DMF 73.97
    toluene 0.19
    isobutanol 1.37
    1,4-dioxane 11.44
    methyl acetate 1.65
    THF 11.37
    2-butanone 1.58
    n-pentanol 0.96
    sec-butanol 1.21
    n-hexane 0.19
    ethylene glycol 23.5
    NMP 100.18
    cyclohexane 0.27
    DMSO 43.13
    n-butyl acetate 0.85
    n-octanol 0.59
    chloroform 0.16
    n-propyl acetate 0.85
    acetic acid 23.82
    dichloromethane 0.39
    cyclohexanone 4.16
    propylene glycol 12.31
    isopropyl acetate 0.78
    DMAc 55.84
    2-ethoxyethanol 9.45
    isopentanol 0.92
    n-heptane 0.19
    ethyl formate 3.38
    1,2-dichloroethane 0.38
    n-hexanol 0.85
    2-methoxyethanol 26.96
    isobutyl acetate 0.43
    tetrachloromethane 0.12
    n-pentyl acetate 0.76
    transcutol 12.87
    n-heptanol 0.77
    ethylbenzene 0.13
    MIBK 0.57
    2-propoxyethanol 8.54
    tert-butanol 1.47
    MTBE 0.59
    2-butoxyethanol 5.69
    propionic acid 6.85
    o-xylene 0.34
    formic acid 80.77
    diethyl ether 1.0
    m-xylene 0.2
    p-xylene 0.26
    chlorobenzene 0.13
    dimethyl carbonate 3.94
    n-octane 0.08
    formamide 59.93
    cyclopentanone 8.12
    2-pentanone 1.14
    anisole 0.55
    cyclopentyl methyl ether 2.87
    gamma-butyrolactone 16.89
    1-methoxy-2-propanol 11.65
    pyridine 2.46
    3-pentanone 1.21
    furfural 16.68
    n-dodecane 0.04
    diethylene glycol 17.05
    diisopropyl ether 0.26
    tert-amyl alcohol 1.1
    acetylacetone 2.24
    n-hexadecane 0.05
    acetophenone 0.91
    methyl propionate 2.67
    isopentyl acetate 0.62
    trichloroethylene 0.36
    n-nonanol 0.58
    cyclohexanol 1.72
    benzyl alcohol 0.9
    2-ethylhexanol 0.42
    isooctanol 0.52
    dipropyl ether 1.0
    1,2-dichlorobenzene 0.17
    ethyl lactate 2.39
    propylene carbonate 6.38
    n-methylformamide 27.73
    2-pentanol 0.7
    n-pentane 0.15
    1-propoxy-2-propanol 3.8
    1-methoxy-2-propyl acetate 2.18
    2-(2-methoxypropoxy) propanol 4.73
    mesitylene 0.19
    ε-caprolactone 5.7
    p-cymene 0.18
    epichlorohydrin 5.05
    1,1,1-trichloroethane 0.12
    2-aminoethanol 19.1
    morpholine-4-carbaldehyde 75.44
    sulfolane 28.95
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 3.6
    n-hexyl acetate 0.89
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 6.72
    sec-butyl acetate 0.4
    tert-butyl acetate 0.74
    decalin 0.09
    glycerin 41.3
    diglyme 12.98
    acrylic acid 11.89
    isopropyl myristate 0.3
    n-butyric acid 3.9
    acetyl acetate 1.05
    di(2-ethylhexyl) phthalate 0.9
    ethyl propionate 1.03
    nitromethane 22.36
    1,2-diethoxyethane 1.53
    benzonitrile 0.68
    trioctyl phosphate 0.64
    1-bromopropane 0.17
    gamma-valerolactone 28.21
    n-decanol 0.42
    triethyl phosphate 0.98
    4-methyl-2-pentanol 0.36
    propionitrile 0.99
    vinylene carbonate 5.97
    1,1,2-trichlorotrifluoroethane 10.58
    DMS 1.7
    cumene 0.15
    2-octanol 0.38
    2-hexanone 0.68
    octyl acetate 0.56
    limonene 0.26
    1,2-dimethoxyethane 9.81
    ethyl orthosilicate 0.86
    tributyl phosphate 0.67
    diacetone alcohol 2.4
    N,N-dimethylaniline 0.9
    acrylonitrile 2.03
    aniline 0.86
    1,3-propanediol 12.45
    bromobenzene 0.08
    dibromomethane 0.19
    1,1,2,2-tetrachloroethane 0.43
    2-methyl-cyclohexyl acetate 0.81
    tetrabutyl urea 1.51
    diisobutyl methanol 0.25
    2-phenylethanol 0.78
    styrene 0.13
    dioctyl adipate 0.77
    dimethyl sulfate 10.9
    ethyl butyrate 0.94
    methyl lactate 8.11
    butyl lactate 2.19
    diethyl carbonate 0.78
    propanediol butyl ether 6.26
    triethyl orthoformate 1.16
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.18
    morpholine 16.21
    tert-butylamine 0.58
    n-dodecanol 0.31
    dimethoxymethane 13.29
    ethylene carbonate 4.74
    cyrene 9.41
    2-ethoxyethyl acetate 1.67
    2-ethylhexyl acetate 0.53
    1,2,4-trichlorobenzene 0.25
    4-methylpyridine 1.5
    dibutyl ether 0.47
    2,6-dimethyl-4-heptanol 0.25
    DEF 7.6
    dimethyl isosorbide 7.66
    tetrachloroethylene 0.41
    eugenol 2.98
    triacetin 2.31
    span 80 4.0
    1,4-butanediol 4.69
    1,1-dichloroethane 0.15
    2-methyl-1-pentanol 0.58
    methyl formate 16.36
    2-methyl-1-butanol 1.06
    n-decane 0.08
    butyronitrile 0.91
    3,7-dimethyl-1-octanol 0.31
    1-chlorooctane 0.13
    1-chlorotetradecane 0.07
    n-nonane 0.08
    undecane 0.06
    tert-butylcyclohexane 0.06
    cyclooctane 0.13
    cyclopentanol 3.5
    tetrahydropyran 2.79
    tert-amyl methyl ether 0.67
    2,5,8-trioxanonane 9.57
    1-hexene 0.28
    2-isopropoxyethanol 3.4
    2,2,2-trifluoroethanol 14.95
    methyl butyrate 1.65

    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