(2S)-2-Amino-N-methylheptanamide

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  • Identifiers

    CAS number
    28211-04-3

    Molecular formula
    C8H18N2O

    SMILES
    CCCCC[C@@H](C(=O)NC)N

    Safety labels

  • Odor profile

    Fragrance
    Fishy 42.64%
    Cheesy 34.0%
    Cooling 33.93%
    Odorless 33.37%
    Savory 29.55%
    Mint 29.48%
    Herbal 25.74%
    Meaty 24.49%
    Oily 22.2%
    Fresh 21.96%

     

    Flavor
    Odorless 31.29%
    Mild 25.98%
    Bland 25.07%
    Herbal 22.65%
    Sulfurous 20.98%
    Bloody 19.88%
    Glue 19.74%
    Syrup 19.73%
    Acrid 19.49%
    Sulfury 19.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.99 (neutral)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 121.95 ˚C est.

  • Synonyms

    • 28211-04-3
    • (2S)-2-Amino-N-methylheptanamide
    • _-Poly-L-lysine
    • SCHEMBL8231118
    • (2S)-2-amino-N-methyl-heptanamide
    • MSK172296
    • G68885
    • 28211-04-3

  • Applications

    (2S)-2-Amino-N-methylheptanamide (CAS 28211-04-3) is a non-proteinogenic amino acid amide primarily used as a chiral building block and synthetic intermediate in pharmaceutical development. It is commonly evaluated for use in peptidomimetic research and as a precursor to N-methyl amino acid derivatives, enabling exploration of protease resistance and altered pharmacokinetic properties. In polymer and materials chemistry, it may serve as a specialty monomer or comonomer for polyamide formulations, contributing to properties such as rigidity and thermal stability. Additional applications include use as an intermediate for the synthesis of heterocyclic compounds and as a starting point for preparing other non-natural amino acid derivatives, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1070.33
    methanol 3601.15
    isopropanol 485.39
    water 59.93
    ethyl acetate 190.24
    n-propanol 642.98
    acetone 243.16
    n-butanol 449.04
    acetonitrile 203.57
    DMF 606.88
    toluene 31.28
    isobutanol 443.63
    1,4-dioxane 309.68
    methyl acetate 147.57
    THF 514.06
    2-butanone 151.39
    n-pentanol 268.72
    sec-butanol 279.74
    n-hexane 3.85
    ethylene glycol 629.84
    NMP 845.19
    cyclohexane 8.32
    DMSO 1894.28
    n-butyl acetate 294.05
    n-octanol 50.96
    chloroform 325.5
    n-propyl acetate 151.55
    acetic acid 2635.04
    dichloromethane 352.17
    cyclohexanone 513.48
    propylene glycol 556.89
    isopropyl acetate 136.88
    DMAc 357.21
    2-ethoxyethanol 577.07
    isopentanol 388.0
    n-heptane 3.07
    ethyl formate 510.93
    1,2-dichloroethane 209.77
    n-hexanol 254.95
    2-methoxyethanol 1352.17
    isobutyl acetate 104.91
    tetrachloromethane 72.83
    n-pentyl acetate 127.06
    transcutol 953.78
    n-heptanol 97.31
    ethylbenzene 17.46
    MIBK 102.55
    2-propoxyethanol 518.76
    tert-butanol 510.04
    MTBE 132.52
    2-butoxyethanol 291.87
    propionic acid 858.97
    o-xylene 32.73
    formic acid 2526.68
    diethyl ether 49.44
    m-xylene 29.54
    p-xylene 32.7
    chlorobenzene 131.36
    dimethyl carbonate 55.56
    n-octane 1.54
    formamide 1757.41
    cyclopentanone 649.39
    2-pentanone 129.55
    anisole 65.17
    cyclopentyl methyl ether 168.6
    gamma-butyrolactone 1105.13
    1-methoxy-2-propanol 535.28
    pyridine 303.58
    3-pentanone 65.86
    furfural 1116.92
    n-dodecane 1.32
    diethylene glycol 589.11
    diisopropyl ether 19.57
    tert-amyl alcohol 353.6
    acetylacetone 228.86
    n-hexadecane 1.45
    acetophenone 108.96
    methyl propionate 123.57
    isopentyl acetate 265.74
    trichloroethylene 525.89
    n-nonanol 42.99
    cyclohexanol 296.85
    benzyl alcohol 173.02
    2-ethylhexanol 116.2
    isooctanol 78.54
    dipropyl ether 37.83
    1,2-dichlorobenzene 134.83
    ethyl lactate 121.4
    propylene carbonate 636.27
    n-methylformamide 982.6
    2-pentanol 147.0
    n-pentane 3.76
    1-propoxy-2-propanol 321.78
    1-methoxy-2-propyl acetate 228.87
    2-(2-methoxypropoxy) propanol 139.62
    mesitylene 21.31
    ε-caprolactone 552.05
    p-cymene 26.68
    epichlorohydrin 657.16
    1,1,1-trichloroethane 153.29
    2-aminoethanol 1041.7
    morpholine-4-carbaldehyde 624.2
    sulfolane 1352.66
    2,2,4-trimethylpentane 5.39
    2-methyltetrahydrofuran 345.59
    n-hexyl acetate 124.68
    isooctane 3.4
    2-(2-butoxyethoxy)ethanol 237.77
    sec-butyl acetate 82.09
    tert-butyl acetate 144.41
    decalin 5.15
    glycerin 812.34
    diglyme 443.7
    acrylic acid 857.17
    isopropyl myristate 25.87
    n-butyric acid 1380.21
    acetyl acetate 180.79
    di(2-ethylhexyl) phthalate 67.78
    ethyl propionate 82.84
    nitromethane 1774.06
    1,2-diethoxyethane 145.36
    benzonitrile 225.4
    trioctyl phosphate 47.54
    1-bromopropane 53.76
    gamma-valerolactone 1105.11
    n-decanol 28.38
    triethyl phosphate 63.53
    4-methyl-2-pentanol 92.69
    propionitrile 155.5
    vinylene carbonate 528.02
    1,1,2-trichlorotrifluoroethane 907.78
    DMS 91.3
    cumene 18.84
    2-octanol 47.29
    2-hexanone 109.93
    octyl acetate 42.87
    limonene 41.48
    1,2-dimethoxyethane 461.42
    ethyl orthosilicate 63.79
    tributyl phosphate 64.55
    diacetone alcohol 283.09
    N,N-dimethylaniline 49.53
    acrylonitrile 289.66
    aniline 185.87
    1,3-propanediol 1194.84
    bromobenzene 92.21
    dibromomethane 172.85
    1,1,2,2-tetrachloroethane 426.3
    2-methyl-cyclohexyl acetate 110.28
    tetrabutyl urea 67.81
    diisobutyl methanol 49.89
    2-phenylethanol 178.08
    styrene 25.73
    dioctyl adipate 58.16
    dimethyl sulfate 150.8
    ethyl butyrate 135.4
    methyl lactate 184.18
    butyl lactate 176.97
    diethyl carbonate 86.61
    propanediol butyl ether 281.31
    triethyl orthoformate 97.31
    p-tert-butyltoluene 24.5
    methyl 4-tert-butylbenzoate 114.76
    morpholine 467.7
    tert-butylamine 181.67
    n-dodecanol 19.48
    dimethoxymethane 168.73
    ethylene carbonate 437.88
    cyrene 198.24
    2-ethoxyethyl acetate 174.72
    2-ethylhexyl acetate 159.93
    1,2,4-trichlorobenzene 169.43
    4-methylpyridine 257.58
    dibutyl ether 29.69
    2,6-dimethyl-4-heptanol 49.89
    DEF 232.32
    dimethyl isosorbide 275.42
    tetrachloroethylene 391.93
    eugenol 145.67
    triacetin 119.88
    span 80 151.15
    1,4-butanediol 425.9
    1,1-dichloroethane 130.86
    2-methyl-1-pentanol 238.23
    methyl formate 639.19
    2-methyl-1-butanol 336.23
    n-decane 1.97
    butyronitrile 217.28
    3,7-dimethyl-1-octanol 62.91
    1-chlorooctane 15.4
    1-chlorotetradecane 5.06
    n-nonane 1.79
    undecane 1.53
    tert-butylcyclohexane 5.54
    cyclooctane 2.35
    cyclopentanol 434.46
    tetrahydropyran 189.48
    tert-amyl methyl ether 78.43
    2,5,8-trioxanonane 233.91
    1-hexene 17.58
    2-isopropoxyethanol 279.67
    2,2,2-trifluoroethanol 707.84
    methyl butyrate 202.52

    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