Cas no 52820-49-2 (3-carbamimidoyl-benzoic acid)

3-carbamimidoyl-benzoic acid is a versatile organic compound with significant applications in chemical synthesis. It offers high purity and stability, facilitating precise reactions in organic chemistry. Its unique structure and reactivity enable the synthesis of complex molecules, making it an essential intermediate for pharmaceuticals and fine chemicals.
3-carbamimidoyl-benzoic acid structure
3-carbamimidoyl-benzoic acid structure
Product Name:3-carbamimidoyl-benzoic acid
CAS No:52820-49-2
MF:C8H8N2O2
MW:164.161321640015
CID:937516
PubChem ID:3676069
Update Time:2025-10-31

3-carbamimidoyl-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-carbamimidoyl-benzoic acid
    • 3-(aminoiminomethyl)-benzoic acid
    • 3-(AMINOIMINOMETHYL)-BENZOIC ACID HCL
    • Benzoic acid,3-(aminoiminomethyl)-(9CI)
    • CS-0499230
    • DTXSID00962715
    • 3-(aminoiminomethyl)benzoic acid
    • AKOS006276125
    • UNII-4HDD4R2AEW
    • Benzoic acid, 3-(aminoiminomethyl)-
    • BDBM50010247
    • 3-carbamimidoylbenzoic Acid
    • 4HDD4R2AEW
    • Ataluren metabolite M2
    • 52820-49-2
    • CHEMBL3247184
    • SCHEMBL431391
    • MDL： MFCD03426111
    • Inchi： 1S/C8H8N2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)
    • InChI Key： WPNGNBVDEYRVGT-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=CC(C(=N)N)=C1)=O

Computed Properties

  • Exact Mass: 164.05900
  • Monoisotopic Mass: 164.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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
  • XLogP3: 1.1
  • Topological Polar Surface Area: 87.2?2

Experimental Properties

  • PSA: 87.17000
  • LogP: 1.46890

3-carbamimidoyl-benzoic acid Customs Data

  • HS CODE：2925290090
  • Customs Data：

    China Customs Code:

    2925290090

    Overview:

    2925290090 Other imines and their derivatives,And their salt.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2925290090 other imines and their derivatives; salts thereof.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

3-carbamimidoyl-benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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3-Carbamimidoylbenzoic acid
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5g
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