Cas no 4394-05-2 (2-(2,3-Dimethylphenyl)aminonicotinic acid)

2-(2,3-Dimethylphenyl)aminonicotinic acid is a specialized organic compound featuring a nicotinic acid core substituted with a 2,3-dimethylphenylamino group. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical synthesis. Its aromatic and heterocyclic components make it a valuable intermediate for developing bioactive molecules, particularly in medicinal chemistry applications. The compound’s well-defined molecular architecture allows for precise modifications, facilitating targeted research in drug discovery. High purity and stability under standard conditions further enhance its suitability for laboratory use. Its synthesis and handling require adherence to standard safety protocols for aromatic amines and carboxylic acids.
2-(2,3-Dimethylphenyl)aminonicotinic acid structure
4394-05-2 structure
Product Name:2-(2,3-Dimethylphenyl)aminonicotinic acid
CAS No:4394-05-2
MF:C14H14N2O2
MW:242.273163318634
MDL:MFCD00866127
CID:45000
PubChem ID:71827
Update Time:2025-06-06

2-(2,3-Dimethylphenyl)aminonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • Nixylic acid
    • 2-[(2,3-Dimethylphenyl)amino]pyridine-3-carboxylic acid
    • 2-((2,3-dimethylphenyl)amino)nicotinic acid
    • 2-(2,3-dimethyl-anilino)-nicotinic acid
    • 2-(2,3-Dimethyl-anilino)-nicotinsaeure
    • 2-(2,3-xylidino)-nicotinic acid
    • Nixylsaeure
    • Nixylic acid [INN:DCF]
    • SCHEMBL2733856
    • CHEMBL1596113
    • Acide nixylique [INN-French]
    • 2-(2,3-Xylidino)nicotinic acid
    • HMS3371I09
    • AB00395365-11
    • UP-74
    • 1ZI8H16Z5I
    • UP 74
    • ASN 04446106
    • LS-10084
    • Acido nixilico [INN-Spanish]
    • Tox21_110970
    • W-106214
    • Oprea1_442983
    • NCGC00026844-02
    • NS00047867
    • DTXSID8045694
    • CAS-4394-05-2
    • 4394-05-2
    • EINECS 224-517-8
    • UNII-1ZI8H16Z5I
    • 2-(2,3-dimethylanilino)nicotinic acid
    • SMR000003407
    • 2-(2,3-Dimethyl-phenylamino)-nicotinic acid
    • HMS2234K23
    • DTXCID6025694
    • AKOS000661481
    • 2-(2,3-dimethylanilino)-3-pyridinecarboxylic acid
    • MLS001240196
    • NIXYLIC ACID [INN]
    • cid_71827
    • BDBM62568
    • 2-[(2,3-Dimethylphenyl)amino]nicotinic acid
    • MLS000068736
    • Acidum nixylicum [INN-Latin]
    • 2-(2,3-dimethylanilino)pyridine-3-carboxylic acid
    • 2-(2,3-dimethylphenylamino)nicotinic acid
    • Q27253346
    • Opera_ID_159
    • 2-(2,3-Dimethylphenyl)aminonicotinic acid
    • MDL： MFCD00866127
    • Inchi： 1S/C14H14N2O2/c1-9-5-3-7-12(10(9)2)16-13-11(14(17)18)6-4-8-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)
    • InChI Key： XEQIPELDMSEBJG-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=CN=C1NC1C=CC=C(C)C=1C)=O

Computed Properties

  • Exact Mass: 242.10600
  • Monoisotopic Mass: 242.105528
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 296
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 62.2
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.25
  • Boiling Point: 403.2 °C at 760 mmHg
  • Flash Point: 403.2 °C at 760 mmHg
  • Refractive Index: 1.645
  • PSA: 62.22000
  • LogP: 3.21320

2-(2,3-Dimethylphenyl)aminonicotinic acid Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(2,3-Dimethylphenyl)aminonicotinic acid Pricemore >>

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