Tripelennamine

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  • Identifiers

    CAS number
    91-81-6

    Molecular formula
    C16H21N3

    SMILES
    CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fishy 48.62%
    Animal 34.77%
    Cheesy 33.79%
    Ripe 29.72%
    Roasted 25.58%
    Meaty 25.26%
    Odorless 25.25%
    Sweet 25.21%
    Savory 25.12%
    Burnt 23.95%

     

    Flavor
    Bitter 34.62%
    Mild 25.35%
    Green 21.55%
    Odorless 20.28%
    Syrup 20.02%
    Tomato leaf 19.96%
    Green pepper 19.85%
    Carrot 19.69%
    Cedarleaf 19.42%
    Nitrile 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.09 (neutral)

    Molecular weight
    255.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 365 to 374 °F at 1.7 mmHg (NTP, 1992)
    • 19.3-20.5 °C @ 5 mm Hg

    Flash point

    • 178.39 ˚C est.

    Solubility expt.

    • Very soluble (NTP, 1992)
    • 587 mg/L (at 30 °C)
    • 1 G DISSOLVES IN: 0.77 ML WATER, 6 ML ALCOHOL, 6 ML CHLOROFORM, ABOUT 350 ML ACETONE; PRACTICALLY INSOL IN BENZENE, ETHER, ETHYL ACETATE /HYDROCHLORIDE/
    • MISCIBLE WITH WATER
    • 2.84e+00 g/L

  • Synonyms

    • tripelennamine
    • Pyribenzamine
    • 91-81-6
    • Pyrinamine base
    • Tripelennamin
    • Benzoxale
    • Piribenzil
    • Resistamine
    • Cizaron
    • Tonaril
    • Tripelenamine
    • Tripelennamina
    • Pyribenzamin
    • Tripelenamina
    • Ts and Blues
    • Tripelannamine
    • Tripelennaminum
    • Vetibenzamina
    • Tripelennamine [INN]
    • 1,2-Ethanediamine, N,N-dimethyl-N'-(phenylmethyl)-N'-2-pyridinyl-
    • NCI-C60662
    • Tripelenamina [INN-Spanish]
    • Tripelennaminum [INN-Latin]
    • Pyristine (piristina)
    • 2-(Benzyl(2-dimethylaminoethyl)amino)pyridine
    • N,N-Dimethyl-N'-benzyl-N'-(2-pyridyl)ethylenediamine
    • NSC 118946
    • N-Benzyl-N-(2-pyridyl)-N',N'-dimethyl ethylenediamine
    • HSDB 5191
    • N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
    • 2-(N-Benzyl-N-(2-dimethylaminoethyl)amino)pyridine
    • N-Benzyl-N',N'-dimethyl-N-2-pyridylethylenediamine
    • UNII-3C5ORO99TY
    • beta-Dimethylaminoethyl-2-pyridylbenzylamine
    • beta-Dimethylaminoethyl-2-pyridylaminotoluene
    • EINECS 202-100-1
    • 3C5ORO99TY
    • NSC-118946
    • BRN 0227074
    • N,N-Dimethyl-N'-(phenylmethyl)-N'-2-pyridinyl-1,2-ethanediamine
    • Tripelennamine (INN)
    • N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine
    • 2750 R.P.
    • N-Benzyl-N',N'-dimethyl-N-(2-pyridyl)ethylenediamine
    • Benzyl-(alpha-pyridyl)-dimethylaethylendiamin
    • 2-[Benzyl(2-dimethylaminoethyl)amino]pyridine
    • Ethylenediamine, N-benzyl-N',N'-dimethyl-N-(2-pyridyl)-
    • N,N-Dimethyl-N'-benzyl-N'-(alpha-pyridyl)ethylenediamine
    • Pyridine, 2-(benzyl(2-(dimethylamino)ethyl)amino)-
    • CHEBI:9741
    • DTXSID8023717
    • Benzyl-.alpha.-pyridyl-dimethyl-aethylendiamin
    • .beta.-Dimethylaminoethyl-2-pyridylaminotoluene
    • 5-22-08-00378 (Beilstein Handbook Reference)
    • Pyridbenzamine
    • Tripellenamine
    • Triplennamine
    • N,N-Dimethyl-N'-benzyl-N'-(.alpha.-pyridyl)ethylenediamine
    • N-Benzyl-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine
    • .beta.-Dimethylaminoethyl-2-pyridylbenzylamine
    • N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydron;chloride
    • Tripelennamina [Italian]
    • Tripelenamina (INN-Spanish)
    • Tripelennaminum (INN-Latin)
    • 2-[N-Benzyl-N-(2-dimethylaminoethyl)amino]pyridine
    • Pyridine, 2-[benzyl[2-(dimethylamino)ethyl]amino]-
    • Tripelennamine [INN:BAN]
    • Benzyl-(alpha-pyridyl)-dimethylaethylendiamin [German]
    • ReCovr (Salt/Mix)
    • Dehistin (Salt/Mix)
    • Ahistamin (Salt/Mix)
    • Spectrum_000141
    • Stanzamine (Salt/Mix)
    • Tri-Tumine (Salt/Mix)
    • Spectrum2_000957
    • Spectrum3_001696
    • Spectrum4_000374
    • Spectrum5_001581
    • TRIPELENNAMINE [MI]
    • 2-(benzyl(2-(dimethylamino)ethyl)amino)pyridine
    • CHEMBL1241
    • Oprea1_266730
    • SCHEMBL17970
    • BSPBio_003252
    • KBioGR_000867
    • KBioSS_000621
    • TRIPELENNAMINE [HSDB]
    • DivK1c_000534
    • TRIPELENNAMINE [VANDF]
    • SPBio_000954
    • DTXCID803717
    • GTPL7318
    • N-Benzyl-N',N'-dimethyl-N-2-(pyridylethylene)diamine
    • TRIPELENNAMINE [WHO-DD]
    • BDBM81471
    • KBio1_000534
    • KBio2_000621
    • KBio2_003189
    • KBio2_005757
    • KBio3_002472
    • D04AA04
    • R06AC04
    • NINDS_000534
    • AntiAllergicum Medivet (Salt/Mix)
    • NSC_5587
    • WLN: T6NJ BN1R&2N1&1
    • 1,2-Ethanediamine,N1,N1-dimethyl-N2-(phenylmethyl)-N2-2-pyridinyl-
    • HY-17428A
    • N,N-dimethyl-N'-(phenylmethyl)-N'-pyridin-2-ylethane-1,2-diamine
    • NSC118946
    • DB00792
    • FT65196
    • CAS_91-81-6
    • IDI1_000534
    • WLN: T6NJ BN1R&2N1&1 &GH
    • NCGC00018125-01
    • NCGC00018125-02
    • NCGC00018125-03
    • DA-78629
    • SBI-0051548.P002
    • CS-0009189
    • NS00003396
    • Benzyl-(.alpha.-pyridyl)-dimethylaethylendiamin
    • C07180
    • D08645
    • EN300-708778
    • Tripelennamine 1000 microg/mL in Acetonitrile
    • AB00053562_13

  • Applications

    Tripelennamine (CAS 91-81-6) is used as an antihistamine active ingredient in pharmaceutical formulations for allergy relief; it may serve as a synthetic intermediate in the preparation of related antihistamines; in research and development, it is evaluated for pharmacology related to histamine receptors; in analytical chemistry, it can serve as an analytical reference standard for quality control of pharmaceutical materials; and it is sometimes supplied as a specialty chemical for research and development of related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 180.32
    methanol 227.04
    isopropanol 65.47
    water 4.72
    ethyl acetate 197.78
    n-propanol 155.17
    acetone 199.27
    n-butanol 133.37
    acetonitrile 127.12
    DMF 291.53
    toluene 114.42
    isobutanol 118.1
    1,4-dioxane 246.86
    methyl acetate 192.01
    THF 248.53
    2-butanone 175.91
    n-pentanol 99.5
    sec-butanol 85.41
    n-hexane 10.34
    ethylene glycol 112.36
    NMP 202.67
    cyclohexane 29.05
    DMSO 425.04
    n-butyl acetate 138.72
    n-octanol 25.5
    chloroform 1063.96
    n-propyl acetate 113.41
    acetic acid 531.92
    dichloromethane 1046.53
    cyclohexanone 256.87
    propylene glycol 109.12
    isopropyl acetate 91.96
    DMAc 353.03
    2-ethoxyethanol 226.39
    isopentanol 101.75
    n-heptane 10.59
    ethyl formate 211.27
    1,2-dichloroethane 591.99
    n-hexanol 114.94
    2-methoxyethanol 328.72
    isobutyl acetate 85.95
    tetrachloromethane 111.76
    n-pentyl acetate 52.55
    transcutol 503.06
    n-heptanol 45.39
    ethylbenzene 39.46
    MIBK 66.86
    2-propoxyethanol 230.02
    tert-butanol 79.25
    MTBE 73.12
    2-butoxyethanol 115.08
    propionic acid 235.8
    o-xylene 72.99
    formic acid 258.87
    diethyl ether 104.7
    m-xylene 66.63
    p-xylene 60.57
    chlorobenzene 208.22
    dimethyl carbonate 107.54
    n-octane 3.83
    formamide 271.6
    cyclopentanone 256.85
    2-pentanone 112.02
    anisole 87.05
    cyclopentyl methyl ether 136.14
    gamma-butyrolactone 320.55
    1-methoxy-2-propanol 168.66
    pyridine 323.36
    3-pentanone 142.78
    furfural 421.96
    n-dodecane 2.76
    diethylene glycol 219.64
    diisopropyl ether 24.65
    tert-amyl alcohol 90.17
    acetylacetone 160.8
    n-hexadecane 3.1
    acetophenone 112.93
    methyl propionate 175.53
    isopentyl acetate 121.72
    trichloroethylene 1129.1
    n-nonanol 26.73
    cyclohexanol 129.32
    benzyl alcohol 117.29
    2-ethylhexanol 69.54
    isooctanol 38.46
    dipropyl ether 73.13
    1,2-dichlorobenzene 191.89
    ethyl lactate 85.64
    propylene carbonate 228.43
    n-methylformamide 198.64
    2-pentanol 60.87
    n-pentane 11.19
    1-propoxy-2-propanol 140.01
    1-methoxy-2-propyl acetate 148.1
    2-(2-methoxypropoxy) propanol 100.55
    mesitylene 34.42
    ε-caprolactone 218.14
    p-cymene 38.62
    epichlorohydrin 477.99
    1,1,1-trichloroethane 353.7
    2-aminoethanol 158.03
    morpholine-4-carbaldehyde 281.48
    sulfolane 361.63
    2,2,4-trimethylpentane 10.44
    2-methyltetrahydrofuran 164.17
    n-hexyl acetate 57.09
    isooctane 4.76
    2-(2-butoxyethoxy)ethanol 140.07
    sec-butyl acetate 72.09
    tert-butyl acetate 84.28
    decalin 11.63
    glycerin 186.9
    diglyme 301.04
    acrylic acid 279.77
    isopropyl myristate 25.75
    n-butyric acid 276.68
    acetyl acetate 164.12
    di(2-ethylhexyl) phthalate 50.99
    ethyl propionate 97.5
    nitromethane 531.99
    1,2-diethoxyethane 119.36
    benzonitrile 120.37
    trioctyl phosphate 29.11
    1-bromopropane 197.88
    gamma-valerolactone 342.4
    n-decanol 21.92
    triethyl phosphate 69.42
    4-methyl-2-pentanol 41.08
    propionitrile 122.01
    vinylene carbonate 258.14
    1,1,2-trichlorotrifluoroethane 571.35
    DMS 96.37
    cumene 32.84
    2-octanol 19.92
    2-hexanone 83.79
    octyl acetate 36.09
    limonene 56.7
    1,2-dimethoxyethane 234.3
    ethyl orthosilicate 65.62
    tributyl phosphate 41.62
    diacetone alcohol 99.21
    N,N-dimethylaniline 66.82
    acrylonitrile 168.86
    aniline 178.78
    1,3-propanediol 172.43
    bromobenzene 199.38
    dibromomethane 553.22
    1,1,2,2-tetrachloroethane 867.5
    2-methyl-cyclohexyl acetate 93.8
    tetrabutyl urea 48.16
    diisobutyl methanol 33.38
    2-phenylethanol 115.36
    styrene 53.66
    dioctyl adipate 56.92
    dimethyl sulfate 173.7
    ethyl butyrate 111.99
    methyl lactate 117.12
    butyl lactate 67.4
    diethyl carbonate 92.78
    propanediol butyl ether 78.4
    triethyl orthoformate 87.16
    p-tert-butyltoluene 33.94
    methyl 4-tert-butylbenzoate 88.04
    morpholine 279.9
    tert-butylamine 49.81
    n-dodecanol 18.47
    dimethoxymethane 183.05
    ethylene carbonate 216.04
    cyrene 115.61
    2-ethoxyethyl acetate 98.96
    2-ethylhexyl acetate 97.57
    1,2,4-trichlorobenzene 241.6
    4-methylpyridine 220.83
    dibutyl ether 35.06
    2,6-dimethyl-4-heptanol 33.38
    DEF 173.36
    dimethyl isosorbide 170.3
    tetrachloroethylene 584.73
    eugenol 97.97
    triacetin 97.43
    span 80 78.89
    1,4-butanediol 90.13
    1,1-dichloroethane 377.45
    2-methyl-1-pentanol 99.13
    methyl formate 212.25
    2-methyl-1-butanol 120.85
    n-decane 4.15
    butyronitrile 111.71
    3,7-dimethyl-1-octanol 34.62
    1-chlorooctane 20.71
    1-chlorotetradecane 10.15
    n-nonane 3.75
    undecane 3.25
    tert-butylcyclohexane 9.45
    cyclooctane 8.54
    cyclopentanol 105.91
    tetrahydropyran 205.67
    tert-amyl methyl ether 78.15
    2,5,8-trioxanonane 193.59
    1-hexene 37.89
    2-isopropoxyethanol 130.95
    2,2,2-trifluoroethanol 231.23
    methyl butyrate 138.59

    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