Cas no 446831-28-3 (3-(Piperazin-1-YL)benzoic acid)

3-(Piperazin-1-YL)benzoic acid structure
446831-28-3 structure
Product Name:3-(Piperazin-1-YL)benzoic acid
CAS No:446831-28-3
MF:C11H14N2O2
MW:206.241062641144
MDL:MFCD03444416
CID:68135
PubChem ID:2760433
Update Time:2025-04-18

3-(Piperazin-1-YL)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(Piperazin-1-yl)benzoic acid
    • 3-piperazin-1-ylbenzoic acid
    • 3-Piperazin-1-yl-benzoic acid dihydrochloride
    • 3-piperazin-1-ylbenzoic acid(SALTDATA: FREE)
    • 1-(3-Carboxyphenyl)piperazine
    • 1-(3-carboxyphenyl) piperazine
    • 3-(1-Piperazinyl)benzoic acid
    • 3-(1-PIPERAZINYL)-BENZOIC ACID
    • 3-(1-Piperazinyl)benzoicacid
    • PubChem12239
    • 3-piperazinylbenzoic acid
    • Oprea1_510166
    • 3-Piperazin-1-yl-benzoic acid
    • 1-(3-Carboxyphenyl)-piperazine
    • Benzoic acid,3-(1-piperazinyl)-
    • EBD31861
    • Benzoic acid, 3-(1-piperazinyl)-
    • SBB068003
    • TRA0085420
    • R
    • MFCD03444416
    • AMY5025
    • AB15441
    • J-510932
    • AKOS000101189
    • CS-0208459
    • FT-0604287
    • SCHEMBL117252
    • AC-2739
    • DTXSID30375157
    • AT-057/41429349
    • 3-PIPERAZINOBENZOIC ACID
    • AS-31028
    • 3-piperazin-1-yl-benzoic acid, AldrichCPR
    • SY002774
    • 446831-28-3
    • A7098
    • 3-(Piperazin-1-YL)benzoic acid
    • MDL: MFCD03444416
    • Inchi: 1S/C11H14N2O2/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2,(H,14,15)
    • InChI Key: GHDMVTUOLYXWCO-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)N1CCNCC1)=O

Computed Properties

  • Exact Mass: 206.10600
  • Monoisotopic Mass: 206.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 227
  • 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: -1.6
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Flash Point: 215℃
  • PSA: 52.57000
  • LogP: 1.18820

3-(Piperazin-1-YL)benzoic acid Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 22-36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi

3-(Piperazin-1-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%

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