Cas no 94038-26-3 (4-(4-Benzylpiperazin-1-yl)benzoic acid)

4-(4-Benzylpiperazin-1-yl)benzoic acid structure
94038-26-3 structure
Product Name:4-(4-Benzylpiperazin-1-yl)benzoic acid
CAS No:94038-26-3
MF:C18H20N2O2
MW:296.363604545593
MDL:MFCD06203537
CID:797624
PubChem ID:4741724
Update Time:2025-04-19

4-(4-Benzylpiperazin-1-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Benzylpiperazin-1-yl)benzoic acid
    • 4‐(4‐BENZYL‐1‐PIPERAZINYL)BENZOIC ACID
    • Benzoic acid,4-[4-(phenylmethyl)-1-piperazinyl]-
    • SCHEMBL1066467
    • 4-(4-Benzyl-1-piperazinyl)benzoic acid
    • 4-(4-Benzyl-piperazin-1-yl)-benzoicacid
    • HLZACPQJCRXAQY-UHFFFAOYSA-N
    • FT-0604271
    • MFCD06203537
    • AKOS000260318
    • DTXSID00406301
    • 4-(4-benzylpiperazin-1-yl)benzoicAcid
    • 4-[4-(phenylmethyl)-1-piperazinyl]-benzoic acid
    • C78610
    • 94038-26-3
    • 4-(4-BENZYL-PIPERAZIN-1-YL)-BENZOIC ACID
    • DB-079777
    • MDL: MFCD06203537
    • Inchi: 1S/C18H20N2O2/c21-18(22)16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22)
    • InChI Key: HLZACPQJCRXAQY-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)N1CCN(CC2C=CC=CC=2)CC1)=O

Computed Properties

  • Exact Mass: 296.152
  • Monoisotopic Mass: 296.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 352
  • 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: 43.8A^2
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.216
  • Boiling Point: 482.4°C at 760 mmHg
  • Flash Point: 245.5°C
  • Refractive Index: 1.625

4-(4-Benzylpiperazin-1-yl)benzoic acid Pricemore >>

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