Agmatine

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  • Identifiers

    CAS number
    306-60-5

    Molecular formula
    C5H14N4

    SMILES
    C(CCN=C(N)N)CN

    Safety labels

  • Odor profile

    Fragrance
    Fishy 77.43%
    Cheesy 49.54%
    Ripe 41.36%
    Odorless 40.11%
    Meaty 30.45%
    Animal 28.22%
    Savory 24.35%
    Pungent 19.8%
    Cooked 18.67%
    Cooling 17.68%

     

    Flavor
    Odorless 26.72%
    Sulfurous 25.28%
    Mild 23.23%
    Meaty 22.61%
    Fishy 22.43%
    Sulfury 21.93%
    Roasted 21.28%
    Ammoniacal 20.65%
    Glue 20.33%
    Cooked 20.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    7.47 (neutral)

    Molecular weight
    130.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Melting point expt.

    • 234-238 degress Celcius

    Flash point

    • 114.23 ˚C est.

  • Synonyms

    • agmatine
    • 1-(4-Aminobutyl)guanidine
    • 306-60-5
    • (4-Aminobutyl)guanidine
    • N-(4-aminobutyl)guanidine
    • 1-Amino-4-guanidobutane
    • guanidine, (4-aminobutyl)-
    • 2-(4-aminobutyl)guanidine
    • (4-Aminobutyl) guanidine
    • 70J407ZL5Q
    • NSC-56332
    • 1-Amino-4-guanidinobutane
    • DTXSID0040961
    • CHEBI:17431
    • RefChem:110174
    • 1 Amino 4 guanidinobutane
    • DTXCID8020961
    • 206-187-7
    • Argmatine
    • N-4-Aminobutylguanidine
    • 1,4-Butanediamine, N-(aminoiminomethyl)-
    • 4-Guanidino-1-butanamine
    • CHEMBL58343
    • AGMATINE SULFATE ENDOGENOUS AGONIST AT
    • agmatinium
    • AG2
    • Guanidine, (4-aminobutyl)- (8CI)(9CI)
    • EINECS 206-187-7
    • NSC 56332
    • UNII-70J407ZL5Q
    • .Agmatin
    • Spectrum_001656
    • Tocris-0842
    • SpecPlus_000500
    • AGMATINE [MI]
    • Spectrum2_001608
    • Spectrum4_001905
    • Spectrum5_000590
    • Lopac-A-7127
    • (4-aminobutyl)-Guanidine
    • AGMATINE [WHO-DD]
    • bmse000063
    • bmse000812
    • bmse000936
    • 1, N-(aminoiminomethyl)-
    • Lopac0_000060
    • SCHEMBL19647
    • US8633208, Agmatine
    • KBioGR_002496
    • KBioGR_002550
    • KBioSS_002136
    • KBioSS_002559
    • Agmatine sulfate, 90.0%+
    • DivK1c_006596
    • SCHEMBL195497
    • SPBio_001615
    • CS-WAA0304
    • GTPL4127
    • orb1689951
    • SCHEMBL1886387
    • SCHEMBL1886389
    • SCHEMBL5149959
    • SCHEMBL9391818
    • BDBM85213
    • KBio1_001540
    • KBio2_002136
    • KBio2_002550
    • KBio2_004704
    • KBio2_005118
    • KBio2_007272
    • KBio2_007686
    • KBio3_003028
    • NSC_199
    • cMAP_000079
    • NSC56332
    • EBC-44054
    • EX-A14866
    • AKOS006230062
    • AKOS015894488
    • CCG-204155
    • DB08838
    • SDCCGMLS-0066765.P001
    • SDCCGSBI-0050048.P003
    • N-(aminoiminomethyl)-1,4-Butanediamine
    • NCGC00015083-01
    • NCGC00015083-02
    • NCGC00015083-03
    • NCGC00015083-04
    • NCGC00015083-05
    • NCGC00015083-06
    • NCGC00015083-10
    • NCGC00024820-01
    • NCGC00024820-02
    • NCGC00024820-03
    • NCGC00024820-04
    • CAS_306-60-5
    • DB-068320
    • NS00000073
    • C00179
    • EN300-150993
    • Q394317
    • BRD-K49738308-065-04-9
    • C4D19DE1-F243-434B-9E72-720B42C5AD40
    • 306-60-5

  • Applications

    Agmatine, CAS 306-60-5, is primarily used as an intermediate and building block for the synthesis of guanidino-containing compounds in pharmaceutical research and development, and as a precursor for guanidinium-functional derivatives in synthetic chemistry; in materials and coatings, it is exploited as a guanidinium-functional unit in cationic polymers and related coatings and adhesive systems, with potential applications in inks and surface treatments; it also serves as a precursor in agrochemical synthesis and development of agricultural products; in research contexts, agmatine is used as a reagent and reference molecule to study polyamine chemistry and the properties of guanidinium-containing materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.02
    methanol 291.97
    isopropanol 11.13
    water 1095.71
    ethyl acetate 4.04
    n-propanol 27.35
    acetone 7.82
    n-butanol 13.83
    acetonitrile 6.1
    DMF 150.44
    toluene 1.53
    isobutanol 13.16
    1,4-dioxane 6.1
    methyl acetate 5.38
    THF 27.09
    2-butanone 4.89
    n-pentanol 7.73
    sec-butanol 7.87
    n-hexane 0.47
    ethylene glycol 227.33
    NMP 197.07
    cyclohexane 0.61
    DMSO 248.53
    n-butyl acetate 5.99
    n-octanol 2.22
    chloroform 9.39
    n-propyl acetate 3.47
    acetic acid 349.9
    dichloromethane 7.35
    cyclohexanone 19.21
    propylene glycol 145.48
    isopropyl acetate 2.43
    DMAc 87.91
    2-ethoxyethanol 39.35
    isopentanol 7.33
    n-heptane 0.54
    ethyl formate 24.68
    1,2-dichloroethane 3.89
    n-hexanol 8.59
    2-methoxyethanol 131.87
    isobutyl acetate 2.29
    tetrachloromethane 5.95
    n-pentyl acetate 3.41
    transcutol 28.16
    n-heptanol 4.88
    ethylbenzene 0.63
    MIBK 2.34
    2-propoxyethanol 36.25
    tert-butanol 8.83
    MTBE 1.61
    2-butoxyethanol 19.9
    propionic acid 102.61
    o-xylene 1.87
    formic acid 857.85
    diethyl ether 1.06
    m-xylene 1.69
    p-xylene 1.13
    chlorobenzene 3.42
    dimethyl carbonate 9.36
    n-octane 0.2
    formamide 430.56
    cyclopentanone 41.94
    2-pentanone 3.57
    anisole 2.0
    cyclopentyl methyl ether 7.99
    gamma-butyrolactone 80.54
    1-methoxy-2-propanol 41.48
    pyridine 14.17
    3-pentanone 3.31
    furfural 111.62
    n-dodecane 0.11
    diethylene glycol 73.77
    diisopropyl ether 0.43
    tert-amyl alcohol 8.74
    acetylacetone 6.98
    n-hexadecane 0.11
    acetophenone 4.92
    methyl propionate 8.4
    isopentyl acetate 4.54
    trichloroethylene 12.16
    n-nonanol 2.0
    cyclohexanol 10.27
    benzyl alcohol 9.31
    2-ethylhexanol 3.49
    isooctanol 3.27
    dipropyl ether 2.19
    1,2-dichlorobenzene 3.9
    ethyl lactate 12.71
    propylene carbonate 41.16
    n-methylformamide 190.69
    2-pentanol 3.7
    n-pentane 0.39
    1-propoxy-2-propanol 18.19
    1-methoxy-2-propyl acetate 9.22
    2-(2-methoxypropoxy) propanol 11.9
    mesitylene 1.14
    ε-caprolactone 23.41
    p-cymene 1.38
    epichlorohydrin 25.23
    1,1,1-trichloroethane 3.49
    2-aminoethanol 213.23
    morpholine-4-carbaldehyde 91.15
    sulfolane 172.64
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 9.67
    n-hexyl acetate 3.17
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 15.54
    sec-butyl acetate 1.63
    tert-butyl acetate 2.79
    decalin 0.32
    glycerin 306.61
    diglyme 24.71
    acrylic acid 159.07
    isopropyl myristate 1.0
    n-butyric acid 73.41
    acetyl acetate 5.51
    di(2-ethylhexyl) phthalate 5.34
    ethyl propionate 3.05
    nitromethane 127.62
    1,2-diethoxyethane 2.54
    benzonitrile 6.95
    trioctyl phosphate 3.43
    1-bromopropane 1.33
    gamma-valerolactone 77.41
    n-decanol 1.36
    triethyl phosphate 4.34
    4-methyl-2-pentanol 2.21
    propionitrile 5.61
    vinylene carbonate 40.06
    1,1,2-trichlorotrifluoroethane 126.27
    DMS 5.29
    cumene 0.73
    2-octanol 1.7
    2-hexanone 2.51
    octyl acetate 1.91
    limonene 1.75
    1,2-dimethoxyethane 17.48
    ethyl orthosilicate 3.73
    tributyl phosphate 3.88
    diacetone alcohol 11.72
    N,N-dimethylaniline 2.89
    acrylonitrile 15.77
    aniline 11.56
    1,3-propanediol 118.97
    bromobenzene 2.12
    dibromomethane 3.91
    1,1,2,2-tetrachloroethane 11.22
    2-methyl-cyclohexyl acetate 4.54
    tetrabutyl urea 5.49
    diisobutyl methanol 1.59
    2-phenylethanol 8.46
    styrene 0.89
    dioctyl adipate 2.71
    dimethyl sulfate 35.84
    ethyl butyrate 4.13
    methyl lactate 38.7
    butyl lactate 11.64
    diethyl carbonate 3.37
    propanediol butyl ether 22.94
    triethyl orthoformate 4.43
    p-tert-butyltoluene 1.34
    methyl 4-tert-butylbenzoate 8.88
    morpholine 16.18
    tert-butylamine 3.57
    n-dodecanol 0.96
    dimethoxymethane 17.74
    ethylene carbonate 26.4
    cyrene 28.06
    2-ethoxyethyl acetate 5.12
    2-ethylhexyl acetate 3.64
    1,2,4-trichlorobenzene 5.85
    4-methylpyridine 9.34
    dibutyl ether 0.8
    2,6-dimethyl-4-heptanol 1.59
    DEF 16.68
    dimethyl isosorbide 21.93
    tetrachloroethylene 16.47
    eugenol 13.38
    triacetin 6.76
    span 80 15.43
    1,4-butanediol 47.17
    1,1-dichloroethane 2.28
    2-methyl-1-pentanol 4.81
    methyl formate 103.34
    2-methyl-1-butanol 9.51
    n-decane 0.17
    butyronitrile 4.99
    3,7-dimethyl-1-octanol 1.85
    1-chlorooctane 0.55
    1-chlorotetradecane 0.24
    n-nonane 0.16
    undecane 0.13
    tert-butylcyclohexane 0.29
    cyclooctane 0.29
    cyclopentanol 28.74
    tetrahydropyran 3.91
    tert-amyl methyl ether 1.89
    2,5,8-trioxanonane 17.75
    1-hexene 0.86
    2-isopropoxyethanol 13.11
    2,2,2-trifluoroethanol 149.72
    methyl butyrate 6.34

    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