Cas no 100390-76-9 (4-(Pentanoylamino)benzoic Acid)

4-(Pentanoylamino)benzoic Acid structure
100390-76-9 structure
Product Name:4-(Pentanoylamino)benzoic Acid
CAS No:100390-76-9
MF:C12H15NO3
MW:221.252403497696
MDL:MFCD01365923
CID:1077686
PubChem ID:4777990
Update Time:2025-04-20

4-(Pentanoylamino)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Pentanamidobenzoic acid
    • 4-(Pentanoylamino)benzoic acid
    • 4-(pentanoylamino)benzoic acid(SALTDATA: FREE)
    • CHEMBRDG-BB 9071392
    • p-pentanamidobenzoic acid
    • VS-01024
    • Oprea1_101455
    • STK414812
    • BBL002139
    • ALBB-003605
    • AKOS000104496
    • CS-0297338
    • 100390-76-9
    • Z224140742
    • MFCD01365923
    • DTXSID80406485
    • Benzoic acid, 4-[(1-oxopentyl)amino]-
    • 4-(Pentanoylamino)benzoic Acid
    • MDL： MFCD01365923
    • Inchi： 1S/C12H15NO3/c1-2-3-4-11(14)13-10-7-5-9(6-8-10)12(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
    • InChI Key： SBQFPXHBAJDVLV-UHFFFAOYSA-N
    • SMILES： O=C(CCCC)NC1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 221.10500
  • Monoisotopic Mass: 221.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 245
  • 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: 2.1
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • PSA: 66.40000
  • LogP: 2.58650

4-(Pentanoylamino)benzoic Acid Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

4-(Pentanoylamino)benzoic Acid Customs Data

  • HS CODE：2924299090
  • Customs Data：

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(Pentanoylamino)benzoic Acid Pricemore >>

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