Cas no 914349-45-4 (3-(2-Aminopyrimidin-5-yl)benzoic acid)

3-(2-Aminopyrimidin-5-yl)benzoic acid structure
914349-45-4 structure
Product Name:3-(2-Aminopyrimidin-5-yl)benzoic acid
CAS No:914349-45-4
MF:C11H9N3O2
MW:215.208061933517
MDL:MFCD05864813
CID:69478
PubChem ID:45036849
Update Time:2024-10-26

3-(2-Aminopyrimidin-5-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2-Aminopyrimidin-5-yl)benzoic acid
    • FC0625
    • SBB052801
    • AB0027600
    • ST24028274
    • W9446
    • 349A454
    • 3-(2-Amino-5-pyrimidinyl)benzoic acid (ACI)
    • TS-00456
    • SB60621
    • 914349-45-4
    • SCHEMBL14107918
    • DB-001746
    • AKOS015855038
    • DS-0135
    • 3-(2-Aminopyrimidin-5-yl)benzoicacid
    • CS-0156954
    • DTXSID00661695
    • MDL: MFCD05864813
    • Inchi: 1S/C11H9N3O2/c12-11-13-5-9(6-14-11)7-2-1-3-8(4-7)10(15)16/h1-6H,(H,15,16)(H2,12,13,14)
    • InChI Key: QFVFXTMOJRFRPF-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(C2C=NC(N)=NC=2)C=CC=1)O

Computed Properties

  • Exact Mass: 215.06900
  • Monoisotopic Mass: 215.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 252
  • 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: 89.1
  • XLogP3: 1

Experimental Properties

  • Density: 1.379
  • PSA: 89.10000
  • LogP: 2.00520

3-(2-Aminopyrimidin-5-yl)benzoic acid Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(2-Aminopyrimidin-5-yl)benzoic acid Pricemore >>

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