1-Aminocyclohexanecarbonitrile

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  • Identifiers

    CAS number
    5496-10-6

    Molecular formula
    C7H12N2

    SMILES
    C1CCC(CC1)(C#N)N

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 41.49%
    Animal 34.2%
    Odorless 32.66%
    Cheesy 19.11%
    Popcorn 18.93%
    Floral 18.49%
    Earthy 17.76%
    Musty 17.39%
    Nutty 16.89%
    Citrus 16.27%

     

    Flavor
    Bitter 36.5%
    Alkaline 21.49%
    Nitrile 20.72%
    Odorless 20.57%
    Shrimp 20.09%
    Very strong 19.57%
    Bouillon 19.56%
    Taco 19.56%
    Ammoniacal 19.2%
    Rotten 19.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.53 (weak acid)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 101.49 ˚C est.

  • Synonyms

    • 1-Aminocyclohexanecarbonitrile
    • 1-amino-1-cyanocyclohexane
    • 1-Cyanocyclohexylamine
    • Cyclohexanecarbonitrile, 1-amino-
    • DTXSID6044488
    • 356LN33RP8
    • EINECS 226-830-5
    • 1-cyano-1-aminocyclohexane
    • UNII-356LN33RP8
    • DTXCID4024488
    • RefChem:74897
    • 226-830-5
    • 5496-10-6
    • 1-aminocyclohexane-1-carbonitrile
    • MFCD01937788
    • 1-aminocyclohexanecarbonitrile x1HCl
    • aminocyclohexanenitrile
    • SCHEMBL420103
    • 1-Amino-cyclohexanecarbonitrile
    • CHEMBL3185775
    • SCHEMBL10449711
    • ALBB-022807
    • Tox21_302194
    • AKOS000198845
    • AB10038
    • NCGC00255822-01
    • CS-10036
    • SY132371
    • CAS-5496-10-6
    • DB-071927
    • CS-0168254
    • NS00044587
    • EN300-08665
    • F312229
    • Q27256429
    • Z56968513
    • 5496-10-6

  • Applications

    1-Aminocyclohexanecarbonitrile, CAS number: 5496-10-6, is principally used as a synthetic intermediate to access cyclohexylamine-containing moieties, serving as a versatile building block in pharmaceutical development. The nitrile can be hydrogenated or otherwise transformed to primary amines, enabling the preparation of API candidates and related agrochemical intermediates. It is also evaluated as a scaffold for medicinal-chemistry research to assemble chiral cyclohexylamine derivatives and related functionalized products. In addition, it may be employed in organic synthesis workflows for transformations such as imine or amide formation, expanding routes to specialty intermediates used in industry. Use is governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.07
    methanol 224.18
    isopropanol 40.38
    water 13.31
    ethyl acetate 86.62
    n-propanol 63.72
    acetone 126.48
    n-butanol 43.81
    acetonitrile 100.09
    DMF 165.72
    toluene 18.74
    isobutanol 32.27
    1,4-dioxane 131.26
    methyl acetate 84.0
    THF 200.89
    2-butanone 72.05
    n-pentanol 26.26
    sec-butanol 26.63
    n-hexane 2.09
    ethylene glycol 79.21
    NMP 233.88
    cyclohexane 4.73
    DMSO 319.03
    n-butyl acetate 91.37
    n-octanol 23.14
    chloroform 238.77
    n-propyl acetate 48.56
    acetic acid 272.55
    dichloromethane 147.85
    cyclohexanone 146.56
    propylene glycol 57.51
    isopropyl acetate 43.68
    DMAc 121.57
    2-ethoxyethanol 62.71
    isopentanol 29.84
    n-heptane 4.41
    ethyl formate 112.5
    1,2-dichloroethane 84.91
    n-hexanol 55.31
    2-methoxyethanol 139.06
    isobutyl acetate 28.97
    tetrachloromethane 39.59
    n-pentyl acetate 45.82
    transcutol 235.06
    n-heptanol 33.97
    ethylbenzene 8.96
    MIBK 32.05
    2-propoxyethanol 105.23
    tert-butanol 41.36
    MTBE 20.56
    2-butoxyethanol 72.12
    propionic acid 159.57
    o-xylene 15.9
    formic acid 244.87
    diethyl ether 28.91
    m-xylene 14.77
    p-xylene 15.53
    chlorobenzene 75.08
    dimethyl carbonate 45.96
    n-octane 1.95
    formamide 244.14
    cyclopentanone 239.99
    2-pentanone 51.51
    anisole 33.05
    cyclopentyl methyl ether 54.94
    gamma-butyrolactone 390.21
    1-methoxy-2-propanol 81.89
    pyridine 142.76
    3-pentanone 43.98
    furfural 328.51
    n-dodecane 1.88
    diethylene glycol 122.88
    diisopropyl ether 9.16
    tert-amyl alcohol 26.49
    acetylacetone 106.19
    n-hexadecane 2.07
    acetophenone 44.87
    methyl propionate 69.1
    isopentyl acetate 64.77
    trichloroethylene 227.5
    n-nonanol 21.34
    cyclohexanol 36.37
    benzyl alcohol 37.28
    2-ethylhexanol 30.1
    isooctanol 25.03
    dipropyl ether 33.25
    1,2-dichlorobenzene 73.74
    ethyl lactate 40.96
    propylene carbonate 211.39
    n-methylformamide 195.82
    2-pentanol 19.37
    n-pentane 1.87
    1-propoxy-2-propanol 74.16
    1-methoxy-2-propyl acetate 82.28
    2-(2-methoxypropoxy) propanol 58.0
    mesitylene 11.49
    ε-caprolactone 139.05
    p-cymene 15.6
    epichlorohydrin 181.04
    1,1,1-trichloroethane 89.34
    2-aminoethanol 89.94
    morpholine-4-carbaldehyde 185.98
    sulfolane 386.89
    2,2,4-trimethylpentane 1.73
    2-methyltetrahydrofuran 93.5
    n-hexyl acetate 49.9
    isooctane 1.64
    2-(2-butoxyethoxy)ethanol 82.48
    sec-butyl acetate 24.49
    tert-butyl acetate 43.93
    decalin 2.9
    glycerin 106.15
    diglyme 159.92
    acrylic acid 187.79
    isopropyl myristate 19.81
    n-butyric acid 161.97
    acetyl acetate 88.6
    di(2-ethylhexyl) phthalate 31.69
    ethyl propionate 37.48
    nitromethane 405.64
    1,2-diethoxyethane 60.16
    benzonitrile 77.35
    trioctyl phosphate 23.75
    1-bromopropane 25.72
    gamma-valerolactone 273.19
    n-decanol 16.25
    triethyl phosphate 31.28
    4-methyl-2-pentanol 14.99
    propionitrile 65.97
    vinylene carbonate 203.76
    1,1,2-trichlorotrifluoroethane 207.91
    DMS 59.66
    cumene 8.81
    2-octanol 17.36
    2-hexanone 35.03
    octyl acetate 28.59
    limonene 22.06
    1,2-dimethoxyethane 87.64
    ethyl orthosilicate 28.25
    tributyl phosphate 28.11
    diacetone alcohol 59.01
    N,N-dimethylaniline 23.18
    acrylonitrile 115.78
    aniline 52.39
    1,3-propanediol 89.35
    bromobenzene 60.26
    dibromomethane 83.89
    1,1,2,2-tetrachloroethane 171.58
    2-methyl-cyclohexyl acetate 44.24
    tetrabutyl urea 33.13
    diisobutyl methanol 17.88
    2-phenylethanol 52.82
    styrene 12.46
    dioctyl adipate 36.53
    dimethyl sulfate 100.2
    ethyl butyrate 55.84
    methyl lactate 70.94
    butyl lactate 51.19
    diethyl carbonate 40.22
    propanediol butyl ether 59.64
    triethyl orthoformate 42.74
    p-tert-butyltoluene 15.32
    methyl 4-tert-butylbenzoate 58.39
    morpholine 121.5
    tert-butylamine 20.56
    n-dodecanol 12.7
    dimethoxymethane 77.63
    ethylene carbonate 159.11
    cyrene 68.05
    2-ethoxyethyl acetate 66.53
    2-ethylhexyl acetate 50.73
    1,2,4-trichlorobenzene 85.49
    4-methylpyridine 84.93
    dibutyl ether 19.71
    2,6-dimethyl-4-heptanol 17.88
    DEF 59.49
    dimethyl isosorbide 118.0
    tetrachloroethylene 138.29
    eugenol 57.62
    triacetin 75.86
    span 80 57.46
    1,4-butanediol 35.23
    1,1-dichloroethane 69.5
    2-methyl-1-pentanol 19.16
    methyl formate 158.5
    2-methyl-1-butanol 25.23
    n-decane 2.69
    butyronitrile 59.81
    3,7-dimethyl-1-octanol 23.54
    1-chlorooctane 12.76
    1-chlorotetradecane 5.64
    n-nonane 2.37
    undecane 2.18
    tert-butylcyclohexane 2.87
    cyclooctane 1.89
    cyclopentanol 64.25
    tetrahydropyran 79.88
    tert-amyl methyl ether 16.79
    2,5,8-trioxanonane 119.59
    1-hexene 7.27
    2-isopropoxyethanol 38.15
    2,2,2-trifluoroethanol 154.84
    methyl butyrate 53.09

    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