N(4)-acetyl-L-2,4-diaminobutyric acid

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  • Identifiers

    CAS number
    1190-46-1

    Molecular formula
    C6H12N2O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 61.73%
    Savory 43.01%
    Meaty 37.13%
    Sweet 30.97%
    Fishy 26.01%
    Cooling 22.31%
    Cooked 21.0%
    Milky 19.37%
    Cocoa 17.72%
    Cheesy 17.03%

     

    Flavor
    Odorless 65.76%
    Mild 35.65%
    Bland 27.08%
    Very mild 24.82%
    Yeast 23.22%
    Sweet-like 22.36%
    Sulfury 22.08%
    Faint 21.84%
    Cooked 21.34%
    Stinky 19.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.4

    pKa est.
    7.08 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    389°C

    Melting point expt.

    • 220 - 222 °C

    Flash point

    • 191.83 ˚C est.

  • Synonyms

    • N-gamma-Acetyldiaminobutyrate
    • (2S)-4-(acetylamino)-2-aminobutanoic acid
    • N(4)-acetyl-L-2,4-diaminobutyric acid
    • N-Acetyl-L-2,4-diaminobutyrate
    • (2S)-2-amino-4-acetamidobutanoic acid
    • CHEBI:7351
    • RefChem:821400
    • 112-590-8
    • 1190-46-1
    • (S)-4-Acetamido-2-aminobutanoic acid
    • (2S)-4-acetamido-2-aminobutanoic acid
    • Butanoic acid, 4-(acetylamino)-2-amino-, (2S)-
    • MFCD21363201
    • N-acetyl-L-2,4-diaminobutanoate
    • 4-N-Acetyl-2,4-diaminobutyric acid
    • (2~{S})-4-acetamido-2-azanyl-butanoic acid
    • N4-Acetyl-L-2,4-diaminobutanoate
    • (2S)-4-acetamido-2-aminobutanoate
    • N4-Acetyl-L-2,4-diaminobutyrate
    • 9YT
    • N-g-Acetyldiaminobutyric acid
    • N(gamma)-Acetyldiaminobutyrate
    • SCHEMBL1768835
    • DTXSID30331556
    • Ngamma-Acetyl-L-diaminobutyric acid
    • (S)-4-Acetamido-2-aminobutanoicacid
    • AKOS030212919
    • (2S)-4-acetamido-2-amino-butanoic acid
    • AS-89458
    • C06442
    • G65197
    • Q27107481
    • 1190-46-1

  • Applications

    N(4)-acetyl-L-2,4-diaminobutyric acid (CAS 1190-46-1) is a protected diamino acid derivative primarily used as a synthetic intermediate. In pharmaceutical manufacturing, it serves as a chiral building block and a protective agent for the preparation of peptidomimetics and other drug intermediates. In agrochemical development, it is evaluated as a precursor for active ingredients and related synthetic routes. In polymer and materials science, it functions as a functionalized diamino acid derivative for specialty polymers and as a precursor to crosslinking or grafting chemistries. In general industrial chemical synthesis, it is employed for protection/derivatization workflows in diamino acid chemistry, facilitating selective reactions and scale-up. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.51
    methanol 4.45
    isopropanol 0.18
    water 621.88
    ethyl acetate 0.12
    n-propanol 0.26
    acetone 0.28
    n-butanol 0.2
    acetonitrile 0.19
    DMF 12.28
    toluene 0.1
    isobutanol 0.27
    1,4-dioxane 0.41
    methyl acetate 0.13
    THF 0.62
    2-butanone 0.19
    n-pentanol 0.16
    sec-butanol 0.21
    n-hexane 0.09
    ethylene glycol 18.63
    NMP 53.84
    cyclohexane 0.12
    DMSO 55.2
    n-butyl acetate 0.16
    n-octanol 0.12
    chloroform 0.12
    n-propyl acetate 0.09
    acetic acid 22.09
    dichloromethane 0.18
    cyclohexanone 1.1
    propylene glycol 8.49
    isopropyl acetate 0.12
    DMAc 17.29
    2-ethoxyethanol 1.9
    isopentanol 0.3
    n-heptane 0.08
    ethyl formate 0.83
    1,2-dichloroethane 0.14
    n-hexanol 0.22
    2-methoxyethanol 4.8
    isobutyl acetate 0.06
    tetrachloromethane 0.22
    n-pentyl acetate 0.13
    transcutol 4.27
    n-heptanol 0.18
    ethylbenzene 0.1
    MIBK 0.22
    2-propoxyethanol 1.31
    tert-butanol 0.62
    MTBE 0.15
    2-butoxyethanol 0.87
    propionic acid 2.74
    o-xylene 0.31
    formic acid 205.36
    diethyl ether 0.07
    m-xylene 0.17
    p-xylene 0.17
    chlorobenzene 0.08
    dimethyl carbonate 0.51
    n-octane 0.03
    formamide 68.18
    cyclopentanone 1.4
    2-pentanone 0.16
    anisole 0.18
    cyclopentyl methyl ether 0.38
    gamma-butyrolactone 2.75
    1-methoxy-2-propanol 1.54
    pyridine 0.39
    3-pentanone 0.23
    furfural 10.06
    n-dodecane 0.01
    diethylene glycol 7.44
    diisopropyl ether 0.06
    tert-amyl alcohol 0.89
    acetylacetone 0.65
    n-hexadecane 0.01
    acetophenone 0.49
    methyl propionate 0.25
    isopentyl acetate 0.23
    trichloroethylene 0.28
    n-nonanol 0.12
    cyclohexanol 0.58
    benzyl alcohol 0.46
    2-ethylhexanol 0.21
    isooctanol 0.18
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.16
    ethyl lactate 0.75
    propylene carbonate 2.07
    n-methylformamide 6.25
    2-pentanol 0.12
    n-pentane 0.05
    1-propoxy-2-propanol 0.75
    1-methoxy-2-propyl acetate 0.55
    2-(2-methoxypropoxy) propanol 2.65
    mesitylene 0.19
    ε-caprolactone 1.22
    p-cymene 0.19
    epichlorohydrin 0.58
    1,1,1-trichloroethane 0.11
    2-aminoethanol 9.38
    morpholine-4-carbaldehyde 14.2
    sulfolane 24.09
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 0.36
    n-hexyl acetate 0.17
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 2.09
    sec-butyl acetate 0.08
    tert-butyl acetate 0.28
    decalin 0.06
    glycerin 45.36
    diglyme 3.42
    acrylic acid 7.21
    isopropyl myristate 0.09
    n-butyric acid 1.51
    acetyl acetate 0.32
    di(2-ethylhexyl) phthalate 0.61
    ethyl propionate 0.14
    nitromethane 7.7
    1,2-diethoxyethane 0.18
    benzonitrile 0.26
    trioctyl phosphate 0.31
    1-bromopropane 0.05
    gamma-valerolactone 5.28
    n-decanol 0.1
    triethyl phosphate 0.5
    4-methyl-2-pentanol 0.18
    propionitrile 0.12
    vinylene carbonate 2.08
    1,1,2-trichlorotrifluoroethane 9.17
    DMS 0.44
    cumene 0.13
    2-octanol 0.11
    2-hexanone 0.12
    octyl acetate 0.13
    limonene 0.25
    1,2-dimethoxyethane 1.62
    ethyl orthosilicate 0.42
    tributyl phosphate 0.4
    diacetone alcohol 1.59
    N,N-dimethylaniline 0.45
    acrylonitrile 0.34
    aniline 0.34
    1,3-propanediol 3.97
    bromobenzene 0.06
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 0.31
    2-methyl-cyclohexyl acetate 0.38
    tetrabutyl urea 0.74
    diisobutyl methanol 0.21
    2-phenylethanol 0.39
    styrene 0.08
    dioctyl adipate 0.26
    dimethyl sulfate 3.99
    ethyl butyrate 0.2
    methyl lactate 2.54
    butyl lactate 0.77
    diethyl carbonate 0.2
    propanediol butyl ether 2.24
    triethyl orthoformate 0.33
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 1.33
    morpholine 0.59
    tert-butylamine 0.29
    n-dodecanol 0.08
    dimethoxymethane 0.94
    ethylene carbonate 1.11
    cyrene 7.04
    2-ethoxyethyl acetate 0.3
    2-ethylhexyl acetate 0.19
    1,2,4-trichlorobenzene 0.23
    4-methylpyridine 0.35
    dibutyl ether 0.07
    2,6-dimethyl-4-heptanol 0.21
    DEF 1.11
    dimethyl isosorbide 4.65
    tetrachloroethylene 0.59
    eugenol 1.69
    triacetin 0.77
    span 80 1.95
    1,4-butanediol 2.04
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.29
    methyl formate 4.87
    2-methyl-1-butanol 0.36
    n-decane 0.02
    butyronitrile 0.11
    3,7-dimethyl-1-octanol 0.18
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.05
    cyclooctane 0.06
    cyclopentanol 0.79
    tetrahydropyran 0.15
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 4.05
    1-hexene 0.08
    2-isopropoxyethanol 0.75
    2,2,2-trifluoroethanol 14.02
    methyl butyrate 0.26

    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