Cas no 215309-01-6 (3-(4-Methylpiperazin-1-yl)benzoic acid)

3-(4-Methylpiperazin-1-yl)benzoic acid structure
215309-01-6 structure
Product Name:3-(4-Methylpiperazin-1-yl)benzoic acid
CAS No:215309-01-6
MF:C12H16N2O2
MW:220.267642974854
MDL:MFCD06742238
CID:66918
PubChem ID:4741681
Update Time:2025-04-18

3-(4-Methylpiperazin-1-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Methylpiperazin-1-yl)benzoic acid
    • 3-(4-methyl-1-piperazinyl)benzoic acid
    • 3-(4-Methylpiperazinyl)-benzoic Acid
    • 3-(4-Methylpiperazin-1-yl)benzoicacid
    • Benzoicacid, 3-(4-methyl-1-piperazinyl)-
    • zlchem 853
    • PubChem12997
    • Jsp004377
    • ZLD0314
    • HALATUFUWLWCQV-UHFFFAOYSA-N
    • 3-(4-methylpiperazinyl)benzoic acid
    • SBB063730
    • VZ26032
    • OR13862
    • RP05164
    • SCHEMBL3319386
    • AMY4737
    • A4629
    • SY002775
    • FS-2412
    • W-206640
    • 215309-01-6
    • DTXSID40406300
    • AKOS003591746
    • AC-2740
    • CS-W003336
    • MFCD06742238
    • FT-0649298
    • 3-(4-Methylpiperazin-1-yl)-benzoic acid
    • DB-011095
    • MDL： MFCD06742238
    • Inchi： 1S/C12H16N2O2/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)
    • InChI Key： HALATUFUWLWCQV-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=CC(=C1)N1CCN(C)CC1)=O

Computed Properties

  • Exact Mass: 220.12100
  • Monoisotopic Mass: 220.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 249
  • 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: 43.8
  • XLogP3: -0.9

Experimental Properties

  • Density: 1.188
  • Melting Point: 187-190 oC
  • Boiling Point: 400.2°C at 760 mmHg
  • Flash Point: 195.8℃
  • Refractive Index: 1.579
  • PSA: 43.78000
  • LogP: 1.13950

3-(4-Methylpiperazin-1-yl)benzoic acid Security Information

3-(4-Methylpiperazin-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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