Benzylaminopurine

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  • Identifiers

    CAS number
    1214-39-7

    Molecular formula
    C12H11N5

    SMILES
    C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Burnt 34.5%
    Meaty 30.9%
    Odorless 30.39%
    Roasted 30.28%
    Cheesy 29.77%
    Cooked 29.54%
    Animal 28.66%
    Fishy 27.56%
    Savory 24.39%
    Nutty 23.57%

     

    Flavor
    Bitter 81.72%
    Odorless 25.64%
    Very strong 19.98%
    Indole 19.94%
    Nitrile 19.81%
    Scallion 19.51%
    Cedarleaf 19.47%
    Moth ball 19.46%
    Cereal 19.43%
    Mild 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.8 (neutral)

    Molecular weight
    225.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    631°C

    Melting point expt.

    • 234-235 °C
    • 229 °C

    Flash point

    • 268.88 ˚C est.

    Solubility expt.

    • Insoluble in most common organic solvents; Soluble in dimethylformamide, dimethyl sulfoxide
    • In water, 0.00044 g/cu cm at 15 °C
    • In water, 60 mg/L at 20 °C
    • 0.06 mg/mL at 20 °C

  • Synonyms

    • 6-Benzylaminopurine
    • 1214-39-7
    • Benzyladenine
    • N6-Benzyladenine
    • N-Benzyl-9H-purin-6-amine
    • N-Benzyladenine
    • 6-(Benzylamino)purine
    • Benzylaminopurine
    • Adenine, N-benzyl-
    • N-benzyl-7H-purin-6-amine
    • 6-BAP
    • 6-(N-Benzylamino)purine
    • 1H-PURIN-6-AMINE, N-(PHENYLMETHYL)-
    • BA (Growth stimulant)
    • BAP (growth stimulant)
    • Verdan senescence inhibitor
    • N-(Phenylmethyl)-1H-purin-6-amine
    • Adenine, N6-benzyl-
    • SD 4901
    • SQ 4609
    • ABG 3034
    • KXG6A989PS
    • n(6)-benzyladenine
    • NSC-40818
    • BAP 99
    • CHEBI:29022
    • 6-benzylaminopurin
    • 6-BA cpd
    • RefChem:831659
    • 214-927-5
    • 6-Benzyladenine
    • Cytokinin B
    • N(6)-Benzylaminopurine
    • Benzyl(purin-6-yl)amine
    • N-6-Benzyladenine
    • 6-(Benzylamino)-9H-purine
    • Aminopurine, 6-benzyl
    • N(sup 6)-Benzyladenine
    • MFCD00005572
    • N(sup 6)-(Benzylamino)purine
    • N(6)-(benzylamino)purine
    • N-Benzyl-adenine
    • 6-Benzyl adenine
    • N-benzyl-1H-purin-6-amine
    • benzylpurin-6-ylamine
    • 6-[(phenylmethyl)amino]-9H-purine
    • MLS000532693
    • CHEMBL228862
    • benzyl-(7h-purin-6-yl)-amine
    • DTXSID7032630
    • MFCD00051031
    • 9H-Purin-6-amine, N-(phenylmethyl)-
    • SMR000140130
    • CAS-1214-39-7
    • Pro-Shear
    • 6-BA
    • Caswell No. 081EE
    • Adenine, N(sup 6)-benzyl-
    • CCRIS 4351
    • 6-(n-benzyl)aminopurine
    • EINECS 214-927-5
    • NSC 40818
    • UNII-KXG6A989PS
    • HSDB 7667
    • BAP (cytokinin)
    • Prestwick_414
    • n6-benzylaminopurine
    • CYTOPURINE
    • benzylaminopurine, 6-
    • N-Benzyladenine, 8CI
    • N(Sup6)-Benzyladenine
    • BA (growth stimulator)
    • Opera_ID_868
    • Prestwick0_000189
    • Prestwick1_000189
    • Prestwick2_000189
    • Prestwick3_000189
    • 6-Benzylaminopurine6-BAP
    • BENZYLADENINE [MI]
    • N(Sup 6)-benzyl-Adenine
    • BENZYLADENINE, 6-
    • CBKinase1_000521
    • CBKinase1_012921
    • Cambridge id 5131951
    • TimTec1_001722
    • BENZYLADENINE [HSDB]
    • Oprea1_747691
    • Oprea1_785203
    • Oprea1_830563
    • SCHEMBL35562
    • SCHEMBL37357
    • SCHEMBL37358
    • BSPBio_000117
    • CBDivE_001815
    • MLS001074298
    • SPBio_002038
    • 6-Benzylaminopurine, 99.0%
    • 6-Benzylaminopurine (Standard)
    • BPBio1_000129
    • orb1310074
    • orb3025974
    • DTXCID5012630
    • SCHEMBL29349525
    • SCHEMBL29772173
    • HY-B0941R
    • NWBJYWHLCVSVIJ-UHFFFAOYSA-
    • 6-Benzylaminopurine 100 microg/mL in Acetonitrile/Acetone
    • GLXC-07992
    • HMS1538O06
    • HMS1568F19
    • HMS1667I06
    • HMS2095F19
    • HMS2234B24
    • HMS3374C09
    • HMS3712F19
    • 6-benzyladenine 6-benzylaminopurine
    • HY-B0941
    • MSK24051
    • NSC40818
    • STR06184
    • N-(phenylmethyl)-7H-purin-6-amine
    • Tox21_301307
    • AC7620
    • BDBM50205363
    • CCG-55533
    • EBC-06690
    • EBC-12360
    • 1214-39-7

  • Applications

    Benzylaminopurine (CAS 1214-39-7) is a cytokinin primarily used in plant tissue culture to promote shoot proliferation, supporting micropropagation and rapid clonal propagation of ornamental and fruit crops. In agriculture and horticulture, it is commonly employed as a plant growth regulator in propagation programs and nursery production based on in vitro culture. It also serves as a standard research reagent in plant biology to study cytokinin activity and the role of cytokinin in cell division and differentiation. Additionally, it may be used as an intermediate or starting material in the organic synthesis of purine-based compounds for research and development of related pharmaceuticals or agrochemicals, subject to formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.51
    methanol 26.82
    isopropanol 9.11
    water 0.12
    ethyl acetate 5.17
    n-propanol 17.3
    acetone 6.12
    n-butanol 14.61
    acetonitrile 1.83
    DMF 74.1
    toluene 0.82
    isobutanol 11.55
    1,4-dioxane 4.12
    methyl acetate 5.87
    THF 38.8
    2-butanone 15.99
    n-pentanol 12.07
    sec-butanol 14.78
    n-hexane 0.17
    ethylene glycol 19.83
    NMP 36.05
    cyclohexane 0.09
    DMSO 52.99
    n-butyl acetate 3.34
    n-octanol 1.18
    chloroform 3.18
    n-propyl acetate 3.81
    acetic acid 21.94
    dichloromethane 3.27
    cyclohexanone 11.67
    propylene glycol 28.51
    isopropyl acetate 3.46
    DMAc 87.71
    2-ethoxyethanol 42.64
    isopentanol 12.17
    n-heptane 0.28
    ethyl formate 5.92
    1,2-dichloroethane 2.99
    n-hexanol 6.49
    2-methoxyethanol 87.02
    isobutyl acetate 2.77
    tetrachloromethane 0.57
    n-pentyl acetate 3.35
    transcutol 52.74
    n-heptanol 3.31
    ethylbenzene 0.57
    MIBK 5.88
    2-propoxyethanol 27.13
    tert-butanol 7.47
    MTBE 3.24
    2-butoxyethanol 16.58
    propionic acid 15.88
    o-xylene 0.74
    formic acid 41.26
    diethyl ether 3.04
    m-xylene 0.77
    p-xylene 0.98
    chlorobenzene 1.46
    dimethyl carbonate 6.89
    n-octane 0.11
    formamide 59.03
    cyclopentanone 24.94
    2-pentanone 9.76
    anisole 2.44
    cyclopentyl methyl ether 7.24
    gamma-butyrolactone 22.94
    1-methoxy-2-propanol 56.62
    pyridine 11.88
    3-pentanone 8.41
    furfural 26.5
    n-dodecane 0.1
    diethylene glycol 37.16
    diisopropyl ether 0.93
    tert-amyl alcohol 11.92
    acetylacetone 7.66
    n-hexadecane 0.11
    acetophenone 5.0
    methyl propionate 10.6
    isopentyl acetate 4.25
    trichloroethylene 7.56
    n-nonanol 1.54
    cyclohexanol 6.4
    benzyl alcohol 7.9
    2-ethylhexanol 3.52
    isooctanol 3.07
    dipropyl ether 2.73
    1,2-dichlorobenzene 1.57
    ethyl lactate 8.45
    propylene carbonate 8.6
    n-methylformamide 35.91
    2-pentanol 8.59
    n-pentane 0.17
    1-propoxy-2-propanol 14.97
    1-methoxy-2-propyl acetate 7.97
    2-(2-methoxypropoxy) propanol 15.34
    mesitylene 0.51
    ε-caprolactone 10.77
    p-cymene 0.94
    epichlorohydrin 27.93
    1,1,1-trichloroethane 1.29
    2-aminoethanol 36.75
    morpholine-4-carbaldehyde 25.35
    sulfolane 36.34
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 12.89
    n-hexyl acetate 2.7
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 21.43
    sec-butyl acetate 3.05
    tert-butyl acetate 3.72
    decalin 0.14
    glycerin 59.73
    diglyme 28.32
    acrylic acid 20.2
    isopropyl myristate 1.7
    n-butyric acid 17.91
    acetyl acetate 2.2
    di(2-ethylhexyl) phthalate 4.21
    ethyl propionate 4.24
    nitromethane 21.05
    1,2-diethoxyethane 5.68
    benzonitrile 3.53
    trioctyl phosphate 2.71
    1-bromopropane 1.68
    gamma-valerolactone 31.06
    n-decanol 1.37
    triethyl phosphate 3.51
    4-methyl-2-pentanol 4.75
    propionitrile 3.93
    vinylene carbonate 7.45
    1,1,2-trichlorotrifluoroethane 35.89
    DMS 4.82
    cumene 0.65
    2-octanol 1.67
    2-hexanone 6.01
    octyl acetate 2.36
    limonene 1.24
    1,2-dimethoxyethane 21.87
    ethyl orthosilicate 3.37
    tributyl phosphate 2.88
    diacetone alcohol 14.0
    N,N-dimethylaniline 2.7
    acrylonitrile 7.72
    aniline 5.57
    1,3-propanediol 41.7
    bromobenzene 0.95
    dibromomethane 1.65
    1,1,2,2-tetrachloroethane 6.77
    2-methyl-cyclohexyl acetate 3.77
    tetrabutyl urea 4.62
    diisobutyl methanol 1.95
    2-phenylethanol 6.3
    styrene 0.69
    dioctyl adipate 3.55
    dimethyl sulfate 14.06
    ethyl butyrate 3.82
    methyl lactate 22.39
    butyl lactate 7.84
    diethyl carbonate 3.05
    propanediol butyl ether 13.87
    triethyl orthoformate 3.96
    p-tert-butyltoluene 0.89
    methyl 4-tert-butylbenzoate 7.13
    morpholine 13.84
    tert-butylamine 2.64
    n-dodecanol 1.18
    dimethoxymethane 26.07
    ethylene carbonate 5.17
    cyrene 15.56
    2-ethoxyethyl acetate 6.98
    2-ethylhexyl acetate 3.15
    1,2,4-trichlorobenzene 2.8
    4-methylpyridine 6.2
    dibutyl ether 1.43
    2,6-dimethyl-4-heptanol 1.95
    DEF 15.54
    dimethyl isosorbide 16.11
    tetrachloroethylene 5.23
    eugenol 10.97
    triacetin 5.59
    span 80 10.15
    1,4-butanediol 18.8
    1,1-dichloroethane 1.54
    2-methyl-1-pentanol 11.1
    methyl formate 16.13
    2-methyl-1-butanol 14.94
    n-decane 0.13
    butyronitrile 4.25
    3,7-dimethyl-1-octanol 2.08
    1-chlorooctane 0.43
    1-chlorotetradecane 0.28
    n-nonane 0.1
    undecane 0.11
    tert-butylcyclohexane 0.15
    cyclooctane 0.06
    cyclopentanol 12.41
    tetrahydropyran 5.07
    tert-amyl methyl ether 4.62
    2,5,8-trioxanonane 22.95
    1-hexene 0.98
    2-isopropoxyethanol 19.82
    2,2,2-trifluoroethanol 9.64
    methyl butyrate 6.21

    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