3-Aminobenzamide

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  • Identifiers

    CAS number
    3544-24-9

    Molecular formula
    C7H8N2O

    SMILES
    C1=CC(=CC(=C1)N)C(=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 43.21%
    Grape 33.43%
    Meaty 28.33%
    Bitter 26.77%
    Savory 25.86%
    Cooked 24.4%
    Animal 24.26%
    Burnt 23.85%
    Cheesy 23.36%
    Fruity 22.82%

     

    Flavor
    Odorless 39.73%
    Mild 39.53%
    Phenolic 34.03%
    Bitter 31.76%
    Nutty 28.77%
    Faint 24.47%
    Urine 23.13%
    Orange flower 22.4%
    Sour 22.28%
    Nitrile 22.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    4.15 (weak acid)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Melting point expt.

    • 115-116 °C

    Flash point

    • 168.02 ˚C est.

  • Synonyms

    • 3-aminobenzamide
    • 3544-24-9
    • m-Aminobenzamide
    • Benzamide, 3-amino-
    • Benzamide, m-amino-
    • meta-aminobenzamide
    • 8J365YF1YH
    • NSC-36962
    • CHEBI:64042
    • DTXSID90188922
    • RefChem:92958
    • DTXCID50111413
    • 222-586-9
    • 3-Amino-benzamide
    • MFCD00007989
    • 3-ABA
    • 3-AB
    • aniline-3-carboxamide
    • 3-aminobenzoic acid amide
    • 3-amino benzamide
    • 3-carboxamidoaniline
    • 3-H2NC6H4CONH2
    • CHEMBL81977
    • ZERENEX E/1009157
    • 3-Aminobenzimide
    • CCRIS 3925
    • SR-01000075657
    • EINECS 222-586-9
    • NSC 36962
    • PARP-IN-1
    • BRN 2802373
    • UNII-8J365YF1YH
    • HSDB 7581
    • 4pml
    • 3AB
    • Spectrum_001492
    • Tocris-0788
    • Spectrum2_001577
    • Spectrum3_000972
    • Spectrum4_001096
    • Spectrum5_001459
    • 3-Aminobenzamide, 97%
    • Lopac-A-0788
    • UPCMLD-DP128
    • 3-aminobenzamide (3-ABA)
    • zerenex e/1009157;
    • Lopac0_000043
    • Oprea1_589004
    • SCHEMBL16070
    • BSPBio_001432
    • BSPBio_002603
    • KBioGR_000152
    • KBioGR_001512
    • KBioGR_002355
    • KBioSS_000152
    • KBioSS_001972
    • KBioSS_002358
    • 4-14-00-01094 (Beilstein Handbook Reference)
    • MLS002153497
    • 3-NH2-C6H4CONH2
    • DivK1c_000717
    • SCHEMBL915894
    • INO-1001,3-Aminobenzamide
    • SPBio_001514
    • orb1300864
    • SCHEMBL4527734
    • SCHEMBL5848244
    • 3-(AMINOCARBONYL)ANILINE
    • 3-AMINOBENZAMIDE [HSDB]
    • SCHEMBL27679552
    • SCHEMBL27914228
    • SCHEMBL27946268
    • UPCMLD-DP128:001
    • 3-ABA; 3-AB
    • BCBcMAP01_000186
    • BDBM27506
    • HMS502D19
    • KBio1_000717
    • KBio2_000152
    • KBio2_001972
    • KBio2_002355
    • KBio2_002720
    • KBio2_004540
    • KBio2_004923
    • KBio2_005288
    • KBio2_007108
    • KBio2_007491
    • KBio3_000303
    • KBio3_000304
    • KBio3_001823
    • KBio3_002834
    • INO-1001 (3-Aminobenzamide)
    • 3-(Aminocarbonyl) Aniline;3-AB
    • cMAP_000029
    • NINDS_000717
    • Bio1_000466
    • Bio1_000955
    • Bio1_001444
    • Bio2_000152
    • Bio2_000632
    • HMS1361H14
    • HMS1791H14
    • HMS1989H14
    • HMS3260I07
    • HMS3266F08
    • HMS3402H14
    • HMS3411L09
    • HMS3654C08
    • HMS3656P18
    • HMS3675L09
    • BB_SC-07456
    • NSC36962
    • 3-Aminobenzamide, >=99% (TLC)
    • Tox21_500043
    • BBL027669
    • CCG-39623
    • EBC-00532
    • HSCI1_000265
    • s1132
    • SBB028153
    • STK730785
    • AKOS000118163
    • (3-(AMINOCARBONYL)PHENYL)AMINE
    • CS-0157
    • FA71335
    • LP00043
    • SDCCGSBI-0050032.P003
    • 3544-24-9

  • Applications

    3-Aminobenzamide (CAS 3544-24-9) is primarily used in pharmaceutical and biochemical research as a PARP (poly ADP-ribose polymerase) inhibitor and as a versatile building block for synthesizing benzamide-based scaffolds in medicinal chemistry. It serves as an organic synthesis intermediate for preparing a range of benzamide derivatives used in small-molecule libraries and drug discovery. In biochemical assays, it is employed as a reference inhibitor to study DNA damage response pathways. It can also function as an analytical reference material or standard for characterizing benzamide derivatives in laboratory analysis. Its use is typically restricted to research settings and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.39
    methanol 44.6
    isopropanol 6.7
    water 11.03
    ethyl acetate 8.86
    n-propanol 8.59
    acetone 33.86
    n-butanol 6.31
    acetonitrile 8.73
    DMF 145.57
    toluene 0.66
    isobutanol 4.18
    1,4-dioxane 22.75
    methyl acetate 12.52
    THF 101.01
    2-butanone 16.62
    n-pentanol 6.19
    sec-butanol 4.03
    n-hexane 0.13
    ethylene glycol 24.32
    NMP 57.52
    cyclohexane 0.04
    DMSO 159.87
    n-butyl acetate 6.82
    n-octanol 5.61
    chloroform 4.47
    n-propyl acetate 5.32
    acetic acid 23.03
    dichloromethane 3.09
    cyclohexanone 15.12
    propylene glycol 11.59
    isopropyl acetate 4.48
    DMAc 132.32
    2-ethoxyethanol 30.3
    isopentanol 5.76
    n-heptane 0.28
    ethyl formate 15.92
    1,2-dichloroethane 2.87
    n-hexanol 10.92
    2-methoxyethanol 59.29
    isobutyl acetate 3.05
    tetrachloromethane 2.37
    n-pentyl acetate 5.61
    transcutol 14.34
    n-heptanol 8.88
    ethylbenzene 0.95
    MIBK 7.1
    2-propoxyethanol 37.71
    tert-butanol 9.35
    MTBE 3.78
    2-butoxyethanol 23.59
    propionic acid 11.83
    o-xylene 1.07
    formic acid 54.7
    diethyl ether 2.52
    m-xylene 1.22
    p-xylene 1.4
    chlorobenzene 1.94
    dimethyl carbonate 13.3
    n-octane 0.19
    formamide 56.99
    cyclopentanone 50.62
    2-pentanone 11.55
    anisole 7.3
    cyclopentyl methyl ether 8.12
    gamma-butyrolactone 56.26
    1-methoxy-2-propanol 29.57
    pyridine 9.31
    3-pentanone 6.14
    furfural 45.43
    n-dodecane 0.18
    diethylene glycol 48.17
    diisopropyl ether 0.83
    tert-amyl alcohol 6.73
    acetylacetone 19.47
    n-hexadecane 0.2
    acetophenone 9.18
    methyl propionate 12.37
    isopentyl acetate 6.61
    trichloroethylene 7.59
    n-nonanol 5.39
    cyclohexanol 2.46
    benzyl alcohol 8.14
    2-ethylhexanol 5.73
    isooctanol 6.31
    dipropyl ether 3.94
    1,2-dichlorobenzene 2.97
    ethyl lactate 9.33
    propylene carbonate 17.87
    n-methylformamide 60.53
    2-pentanol 2.71
    n-pentane 0.05
    1-propoxy-2-propanol 18.35
    1-methoxy-2-propyl acetate 12.91
    2-(2-methoxypropoxy) propanol 14.55
    mesitylene 0.92
    ε-caprolactone 13.1
    p-cymene 1.74
    epichlorohydrin 38.21
    1,1,1-trichloroethane 3.51
    2-aminoethanol 24.31
    morpholine-4-carbaldehyde 54.26
    sulfolane 64.24
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 15.31
    n-hexyl acetate 6.61
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 17.76
    sec-butyl acetate 2.94
    tert-butyl acetate 6.44
    decalin 0.14
    glycerin 36.68
    diglyme 33.49
    acrylic acid 13.84
    isopropyl myristate 2.85
    n-butyric acid 13.24
    acetyl acetate 6.22
    di(2-ethylhexyl) phthalate 5.56
    ethyl propionate 5.64
    nitromethane 57.21
    1,2-diethoxyethane 5.28
    benzonitrile 6.73
    trioctyl phosphate 4.61
    1-bromopropane 0.95
    gamma-valerolactone 56.83
    n-decanol 4.01
    triethyl phosphate 5.29
    4-methyl-2-pentanol 2.83
    propionitrile 5.79
    vinylene carbonate 14.98
    1,1,2-trichlorotrifluoroethane 39.49
    DMS 6.4
    cumene 1.1
    2-octanol 4.36
    2-hexanone 7.99
    octyl acetate 4.63
    limonene 1.97
    1,2-dimethoxyethane 47.12
    ethyl orthosilicate 4.74
    tributyl phosphate 4.17
    diacetone alcohol 16.91
    N,N-dimethylaniline 6.05
    acrylonitrile 11.77
    aniline 3.21
    1,3-propanediol 26.34
    bromobenzene 1.32
    dibromomethane 1.59
    1,1,2,2-tetrachloroethane 7.57
    2-methyl-cyclohexyl acetate 6.45
    tetrabutyl urea 7.25
    diisobutyl methanol 3.11
    2-phenylethanol 10.96
    styrene 0.95
    dioctyl adipate 4.64
    dimethyl sulfate 34.31
    ethyl butyrate 5.92
    methyl lactate 18.13
    butyl lactate 7.61
    diethyl carbonate 4.44
    propanediol butyl ether 12.66
    triethyl orthoformate 5.26
    p-tert-butyltoluene 1.7
    methyl 4-tert-butylbenzoate 13.05
    morpholine 23.66
    tert-butylamine 2.83
    n-dodecanol 2.84
    dimethoxymethane 46.3
    ethylene carbonate 11.21
    cyrene 20.37
    2-ethoxyethyl acetate 8.14
    2-ethylhexyl acetate 4.71
    1,2,4-trichlorobenzene 3.74
    4-methylpyridine 9.3
    dibutyl ether 2.29
    2,6-dimethyl-4-heptanol 3.11
    DEF 17.44
    dimethyl isosorbide 25.34
    tetrachloroethylene 6.6
    eugenol 15.69
    triacetin 7.39
    span 80 11.32
    1,4-butanediol 12.38
    1,1-dichloroethane 2.37
    2-methyl-1-pentanol 5.25
    methyl formate 48.26
    2-methyl-1-butanol 4.54
    n-decane 0.29
    butyronitrile 6.29
    3,7-dimethyl-1-octanol 4.17
    1-chlorooctane 1.48
    1-chlorotetradecane 0.64
    n-nonane 0.24
    undecane 0.22
    tert-butylcyclohexane 0.21
    cyclooctane 0.04
    cyclopentanol 6.87
    tetrahydropyran 5.15
    tert-amyl methyl ether 3.53
    2,5,8-trioxanonane 26.16
    1-hexene 0.62
    2-isopropoxyethanol 15.23
    2,2,2-trifluoroethanol 19.75
    methyl butyrate 9.2

    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