(S)-2-Acetamido-5-guanidinopentanoic acid dihydrate

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  • Identifiers

    CAS number
    210545-23-6

    Molecular formula
    C8H20N4O5

    SMILES
    CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O.O.O

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  • Odor profile

    Fragrance
    Odorless 63.67%
    Savory 39.8%
    Meaty 36.41%
    Fishy 29.71%
    Cooling 25.44%
    Cooked 22.02%
    Sweet 20.04%
    Roasted 18.37%
    Cheesy 18.03%
    Pungent 17.04%

     

    Flavor
    Odorless 56.81%
    Bitter 32.4%
    Mild 32.36%
    Bland 28.58%
    Roasted 22.11%
    Cooked 22.0%
    Faint 21.93%
    Sweet-like 21.2%
    Yeast 21.15%
    Very mild 20.54%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.11 (weak base)

    Molecular weight
    252.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    414°C

    Flash point

    • 207.62 ˚C est.

  • Synonyms

    • 210545-23-6
    • Ac-Arg-OH dihydrate
    • (S)-2-Acetamido-5-guanidinopentanoic acid dihydrate
    • AC-ARG-OH 2H2O
    • L-Arginine, N2-acetyl-, hydrate (1:2)
    • N-ACETYL-L-ARGININE DIHYDRATE
    • MFCD00150285
    • N-Acetyl-L-arginine (dihydrate)
    • Ac-Arg-OH.2H2O
    • (2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid;dihydrate
    • N-Alpha-Acetyl-L-Arginine Dihydrate
    • Acetyl-L-arginine dihydrate
    • C8H20N4O5
    • Ac-Arg-OH?H2O
    • orb1301918
    • N-a-Acetyl-L-arginine dihydrate
    • SCHEMBL29401510
    • SCHEMBL30600465
    • HMS548G13
    • DTXSID201347724
    • HY-W014130A
    • N-alpha-Acetyl-D-arginine dihydrate
    • MFCD00278265
    • s3318
    • AKOS040758732
    • FA43069
    • BS-22060
    • SY317451
    • CS-0102494
    • E75744
    • (2S)-2-acetamido-5-guanidino-pentanoic acid;dihydrate
    • 210545-23-6

  • Applications

    Primarily, (S)-2-Acetamido-5-guanidinopentanoic acid dihydrate (CAS 210545-23-6) serves as an intermediate and a chiral building block in pharmaceutical research, enabling the synthesis of guanidino-containing compounds and peptide-like agents; it is often evaluated for incorporation into medicinal chemistry programs as a precursor to guanidinylated drugs and peptidomimetics. It may also function as a specialized substrate or reagent in biochemical research and enzyme studies, supporting structure–activity investigations. In polymer and materials science, the compound can be explored as a functionalized amino acid monomer or modifier for designer polymers, where its guanidino group can influence binding properties and ionic interactions. As a research chemical, it may appear in sample preparation and analytical method development for amino acid derivatives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.32
    methanol 1.06
    isopropanol 0.12
    water 30.35
    ethyl acetate 0.06
    n-propanol 0.18
    acetone 0.06
    n-butanol 0.12
    acetonitrile 0.07
    DMF 5.53
    toluene 0.06
    isobutanol 0.12
    1,4-dioxane 0.14
    methyl acetate 0.07
    THF 0.43
    2-butanone 0.1
    n-pentanol 0.12
    sec-butanol 0.13
    n-hexane 0.06
    ethylene glycol 2.36
    NMP 10.11
    cyclohexane 0.02
    DMSO 14.93
    n-butyl acetate 0.08
    n-octanol 0.06
    chloroform 0.15
    n-propyl acetate 0.07
    acetic acid 2.02
    dichloromethane 0.21
    cyclohexanone 0.4
    propylene glycol 1.84
    isopropyl acetate 0.05
    DMAc 7.64
    2-ethoxyethanol 1.18
    isopentanol 0.12
    n-heptane 0.03
    ethyl formate 0.38
    1,2-dichloroethane 0.12
    n-hexanol 0.13
    2-methoxyethanol 2.64
    isobutyl acetate 0.04
    tetrachloromethane 0.08
    n-pentyl acetate 0.06
    transcutol 1.06
    n-heptanol 0.1
    ethylbenzene 0.07
    MIBK 0.08
    2-propoxyethanol 0.96
    tert-butanol 0.15
    MTBE 0.04
    2-butoxyethanol 0.55
    propionic acid 0.47
    o-xylene 0.1
    formic acid 23.13
    diethyl ether 0.05
    m-xylene 0.07
    p-xylene 0.1
    chlorobenzene 0.04
    dimethyl carbonate 0.2
    n-octane 0.02
    formamide 9.64
    cyclopentanone 0.6
    2-pentanone 0.08
    anisole 0.09
    cyclopentyl methyl ether 0.2
    gamma-butyrolactone 1.14
    1-methoxy-2-propanol 1.14
    pyridine 0.28
    3-pentanone 0.1
    furfural 3.53
    n-dodecane 0.01
    diethylene glycol 2.89
    diisopropyl ether 0.02
    tert-amyl alcohol 0.19
    acetylacetone 0.18
    n-hexadecane 0.01
    acetophenone 0.22
    methyl propionate 0.15
    isopentyl acetate 0.1
    trichloroethylene 0.22
    n-nonanol 0.07
    cyclohexanol 0.17
    benzyl alcohol 0.27
    2-ethylhexanol 0.09
    isooctanol 0.08
    dipropyl ether 0.09
    1,2-dichlorobenzene 0.08
    ethyl lactate 0.39
    propylene carbonate 0.73
    n-methylformamide 2.48
    2-pentanol 0.07
    n-pentane 0.02
    1-propoxy-2-propanol 0.51
    1-methoxy-2-propyl acetate 0.25
    2-(2-methoxypropoxy) propanol 0.93
    mesitylene 0.05
    ε-caprolactone 0.53
    p-cymene 0.06
    epichlorohydrin 0.51
    1,1,1-trichloroethane 0.06
    2-aminoethanol 2.26
    morpholine-4-carbaldehyde 5.05
    sulfolane 6.39
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.16
    n-hexyl acetate 0.08
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 0.87
    sec-butyl acetate 0.04
    tert-butyl acetate 0.08
    decalin 0.02
    glycerin 9.81
    diglyme 1.32
    acrylic acid 1.05
    isopropyl myristate 0.04
    n-butyric acid 0.48
    acetyl acetate 0.08
    di(2-ethylhexyl) phthalate 0.2
    ethyl propionate 0.09
    nitromethane 1.31
    1,2-diethoxyethane 0.1
    benzonitrile 0.17
    trioctyl phosphate 0.11
    1-bromopropane 0.07
    gamma-valerolactone 2.46
    n-decanol 0.06
    triethyl phosphate 0.21
    4-methyl-2-pentanol 0.06
    propionitrile 0.08
    vinylene carbonate 0.82
    1,1,2-trichlorotrifluoroethane 3.84
    DMS 0.14
    cumene 0.07
    2-octanol 0.06
    2-hexanone 0.09
    octyl acetate 0.05
    limonene 0.06
    1,2-dimethoxyethane 1.17
    ethyl orthosilicate 0.19
    tributyl phosphate 0.14
    diacetone alcohol 0.44
    N,N-dimethylaniline 0.22
    acrylonitrile 0.2
    aniline 0.16
    1,3-propanediol 1.31
    bromobenzene 0.04
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.26
    2-methyl-cyclohexyl acetate 0.15
    tetrabutyl urea 0.3
    diisobutyl methanol 0.06
    2-phenylethanol 0.2
    styrene 0.05
    dioctyl adipate 0.09
    dimethyl sulfate 1.22
    ethyl butyrate 0.11
    methyl lactate 1.08
    butyl lactate 0.33
    diethyl carbonate 0.09
    propanediol butyl ether 0.79
    triethyl orthoformate 0.17
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 0.47
    morpholine 0.3
    tert-butylamine 0.07
    n-dodecanol 0.04
    dimethoxymethane 0.66
    ethylene carbonate 0.42
    cyrene 2.29
    2-ethoxyethyl acetate 0.1
    2-ethylhexyl acetate 0.08
    1,2,4-trichlorobenzene 0.1
    4-methylpyridine 0.26
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.06
    DEF 0.53
    dimethyl isosorbide 1.66
    tetrachloroethylene 0.26
    eugenol 0.71
    triacetin 0.2
    span 80 0.6
    1,4-butanediol 0.72
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.13
    methyl formate 1.72
    2-methyl-1-butanol 0.14
    n-decane 0.01
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.27
    tetrahydropyran 0.08
    tert-amyl methyl ether 0.08
    2,5,8-trioxanonane 1.38
    1-hexene 0.1
    2-isopropoxyethanol 0.4
    2,2,2-trifluoroethanol 1.93
    methyl butyrate 0.18

    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