5-(N,N-Hexamethylene)Amiloride

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  • Identifiers

    CAS number
    1428-95-1

    Molecular formula
    C12H18ClN7O

    SMILES
    C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 65.14%
    Roasted 27.54%
    Meaty 27.11%
    Savory 25.88%
    Fishy 23.89%
    Cooling 23.79%
    Cooked 23.57%
    Popcorn 23.38%
    Nutty 21.72%
    Animal 18.95%

     

    Flavor
    Bitter 70.2%
    Odorless 38.34%
    Roasted 28.43%
    Bland 21.35%
    Taco 20.58%
    Bread crust 20.24%
    Scallion 20.07%
    Nitrile 20.03%
    Roasted peanuts 19.81%
    Mild 19.78%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.27 (weak acid)

    Molecular weight
    311.77 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    139°C

    Flash point

    • 251.53 ˚C est.

  • Synonyms

    • 5-(N,N-Hexamethylene)amiloride
    • 5-(N,N-hexamethylene)-Amiloride
    • 1428-95-1
    • Hexamethylene amiloride
    • Hexamethyleneamiloride
    • HMA-5
    • 5-HMA
    • HMA
    • CHEBI:76400
    • N,N-HEXAMETHYLENEAMILORIDE
    • 3-Amino-6-chloro-5-(1-homopiperidyl)-N-(diaminomethylene)pyrazinecarboxamide
    • 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
    • Hexamethylene amiloride;HMA
    • DTXSID10162188
    • 3-amino-5-(azepan-1-yl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
    • 3-Amino-N-(aminoiminomethyl)-6-chloro-5-(hexahydro-1H-azepin-1-yl)pyrazinecarboxamide
    • 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide
    • Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro-5-(hexahydro-1H-azepin-1-yl)-
    • 1345839-29-3
    • Spectrum_001596
    • SpecPlus_000779
    • Spectrum2_001669
    • Spectrum3_001662
    • Spectrum4_000623
    • Spectrum5_001388
    • Lopac-A-9561
    • Lopac0_000104
    • BSPBio_003443
    • KBioGR_001206
    • KBioSS_002076
    • MLS002153208
    • BIDD:GT0357
    • DivK1c_006875
    • SPECTRUM1504215
    • SPBio_001857
    • CHEMBL501701
    • GTPL1192
    • SCHEMBL7862943
    • SCHEMBL9852488
    • DTXCID7084679
    • BDBM81818
    • KBio1_001819
    • KBio2_002076
    • KBio2_004644
    • KBio2_007212
    • KBio3_002663
    • N-N-HEXAMETHYLENEAMILORIDE
    • RQQJJXVETXFINY-UHFFFAOYSA-N
    • HMS2233N17
    • HMS3260E10
    • CAS_1794
    • NSC_1794
    • Tox21_500104
    • CCG-39661
    • MFCD00069211
    • PDSP1_001080
    • PDSP2_001064
    • AKOS040758618
    • CCG-221408
    • LP00104
    • SDCCGSBI-0050092.P003
    • NCGC00015108-01
    • NCGC00015108-02
    • NCGC00015108-03
    • NCGC00015108-04
    • NCGC00015108-05
    • NCGC00015108-06
    • NCGC00015108-09
    • NCGC00093601-01
    • NCGC00093601-02
    • NCGC00095333-01
    • NCGC00095333-02
    • NCGC00260789-01
    • 1ST10507
    • DA-49774
    • MS-24542
    • SMR001230687
    • HY-128067
    • CS-0095166
    • EU-0100104
    • NS00100942
    • A 9561
    • G12186
    • SR-01000075696
    • SR-01000075696-1
    • BRD-K40990712-001-02-4
    • Q27073995
    • 634-319-7

  • Applications

    5-(N,N-Hexamethylene)Amiloride (CAS 1428-95-1) is used primarily as a synthetic intermediate in the preparation of amiloride-related derivatives and other diuretic agents, while also serving as a specialized research tool for ENaC ion-channel studies in pharmaceutical and biomedical research. In research contexts, it is commonly used as a starting point for evaluating mechanisms of ENaC inhibition and as a basis for medicinal chemistry programs exploring diuretic drug candidates; it may also function as an intermediate in the development of new diuretics and as a niche chemical for industrial specialty applications. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.63
    methanol 4.02
    isopropanol 0.69
    water 1.93
    ethyl acetate 0.75
    n-propanol 1.25
    acetone 1.31
    n-butanol 1.0
    acetonitrile 0.78
    DMF 18.66
    toluene 0.28
    isobutanol 0.76
    1,4-dioxane 0.51
    methyl acetate 1.0
    THF 4.19
    2-butanone 1.27
    n-pentanol 0.93
    sec-butanol 0.59
    n-hexane 0.02
    ethylene glycol 11.85
    NMP 68.9
    cyclohexane 0.03
    DMSO 70.21
    n-butyl acetate 1.3
    n-octanol 0.05
    chloroform 2.9
    n-propyl acetate 0.98
    acetic acid 21.83
    dichloromethane 3.51
    cyclohexanone 3.58
    propylene glycol 13.02
    isopropyl acetate 0.5
    DMAc 23.64
    2-ethoxyethanol 6.79
    isopentanol 0.75
    n-heptane 0.03
    ethyl formate 3.61
    1,2-dichloroethane 2.14
    n-hexanol 0.74
    2-methoxyethanol 21.83
    isobutyl acetate 0.56
    tetrachloromethane 0.68
    n-pentyl acetate 0.54
    transcutol 3.55
    n-heptanol 0.3
    ethylbenzene 0.14
    MIBK 0.57
    2-propoxyethanol 6.86
    tert-butanol 0.57
    MTBE 0.1
    2-butoxyethanol 3.27
    propionic acid 7.41
    o-xylene 0.27
    formic acid 62.64
    diethyl ether 0.1
    m-xylene 0.27
    p-xylene 0.29
    chlorobenzene 0.73
    dimethyl carbonate 2.47
    n-octane 0.01
    formamide 50.37
    cyclopentanone 9.34
    2-pentanone 0.85
    anisole 0.31
    cyclopentyl methyl ether 0.88
    gamma-butyrolactone 21.3
    1-methoxy-2-propanol 8.64
    pyridine 3.27
    3-pentanone 0.75
    furfural 33.29
    n-dodecane 0.0
    diethylene glycol 17.16
    diisopropyl ether 0.04
    tert-amyl alcohol 0.55
    acetylacetone 2.23
    n-hexadecane 0.0
    acetophenone 1.5
    methyl propionate 1.65
    isopentyl acetate 1.03
    trichloroethylene 6.52
    n-nonanol 0.06
    cyclohexanol 0.88
    benzyl alcohol 2.16
    2-ethylhexanol 0.35
    isooctanol 0.22
    dipropyl ether 0.22
    1,2-dichlorobenzene 0.95
    ethyl lactate 3.74
    propylene carbonate 11.86
    n-methylformamide 15.97
    2-pentanol 0.34
    n-pentane 0.02
    1-propoxy-2-propanol 3.04
    1-methoxy-2-propyl acetate 2.65
    2-(2-methoxypropoxy) propanol 2.3
    mesitylene 0.17
    ε-caprolactone 4.99
    p-cymene 0.22
    epichlorohydrin 11.05
    1,1,1-trichloroethane 1.15
    2-aminoethanol 10.93
    morpholine-4-carbaldehyde 20.08
    sulfolane 72.16
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.27
    n-hexyl acetate 0.23
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.55
    sec-butyl acetate 0.48
    tert-butyl acetate 0.56
    decalin 0.02
    glycerin 48.89
    diglyme 4.28
    acrylic acid 16.41
    isopropyl myristate 0.1
    n-butyric acid 7.0
    acetyl acetate 1.2
    di(2-ethylhexyl) phthalate 0.81
    ethyl propionate 0.82
    nitromethane 19.08
    1,2-diethoxyethane 0.31
    benzonitrile 1.72
    trioctyl phosphate 0.47
    1-bromopropane 0.45
    gamma-valerolactone 21.73
    n-decanol 0.05
    triethyl phosphate 1.34
    4-methyl-2-pentanol 0.24
    propionitrile 0.84
    vinylene carbonate 10.72
    1,1,2-trichlorotrifluoroethane 51.27
    DMS 1.21
    cumene 0.14
    2-octanol 0.09
    2-hexanone 0.84
    octyl acetate 0.17
    limonene 0.22
    1,2-dimethoxyethane 3.1
    ethyl orthosilicate 0.97
    tributyl phosphate 0.57
    diacetone alcohol 3.04
    N,N-dimethylaniline 0.44
    acrylonitrile 2.6
    aniline 1.42
    1,3-propanediol 10.67
    bromobenzene 0.55
    dibromomethane 1.58
    1,1,2,2-tetrachloroethane 5.28
    2-methyl-cyclohexyl acetate 1.2
    tetrabutyl urea 0.8
    diisobutyl methanol 0.17
    2-phenylethanol 1.78
    styrene 0.17
    dioctyl adipate 0.41
    dimethyl sulfate 14.57
    ethyl butyrate 1.1
    methyl lactate 10.46
    butyl lactate 2.46
    diethyl carbonate 1.15
    propanediol butyl ether 2.61
    triethyl orthoformate 0.97
    p-tert-butyltoluene 0.2
    methyl 4-tert-butylbenzoate 1.6
    morpholine 1.71
    tert-butylamine 0.17
    n-dodecanol 0.04
    dimethoxymethane 3.22
    ethylene carbonate 5.83
    cyrene 13.6
    2-ethoxyethyl acetate 1.11
    2-ethylhexyl acetate 0.79
    1,2,4-trichlorobenzene 1.87
    4-methylpyridine 2.02
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.17
    DEF 2.78
    dimethyl isosorbide 7.32
    tetrachloroethylene 3.9
    eugenol 3.08
    triacetin 1.24
    span 80 2.31
    1,4-butanediol 4.68
    1,1-dichloroethane 0.86
    2-methyl-1-pentanol 0.8
    methyl formate 10.77
    2-methyl-1-butanol 0.77
    n-decane 0.01
    butyronitrile 0.82
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 2.41
    tetrahydropyran 0.36
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 3.47
    1-hexene 0.1
    2-isopropoxyethanol 2.4
    2,2,2-trifluoroethanol 20.08
    methyl butyrate 1.55

    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