Cas no 514209-42-8 (3-(4-Methylpiperazin-1-ylmethyl)benzoic acid)

3-(4-Methylpiperazin-1-ylmethyl)benzoic acid structure
514209-42-8 structure
Product Name:3-(4-Methylpiperazin-1-ylmethyl)benzoic acid
CAS No:514209-42-8
MF:C13H18N2O2
MW:234.294223308563
MDL:MFCD01202932
CID:68356
PubChem ID:329768543
Update Time:2025-04-18

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

Names and Identifiers

    • 3-(4-Methylpiperazin-1-ylmethyl)benzoic acid
    • 3-[(4-Methylpiperazin-1-yl)methyl]benzoic acid
    • 3-(4-methyl-piperazin-1-ylmethyl)-benzoic acid
    • 3-(4-methyl-piperazin-1-ylmethyl)-benzoic acid, AldrichCPR
    • FT-0707597
    • EN300-58194
    • Benzoic acid, 3-[(4-methyl-1-piperazinyl)methyl]-
    • CS-0341330
    • AB08364
    • 3- pound 4-Methylpiperazin-1-ylmethyl)benzoic acid
    • 514209-42-8
    • SCHEMBL3453981
    • AKOS000104859
    • A828579
    • DTXSID90588180
    • 3-((4-methylpiperazin-1-yl)methyl)benzoic acid
    • 3-[(4-methyl-1-piperazinyl)methyl]benzoic acid
    • BCP31395
    • SY064508
    • MFCD01202932
    • GS-4413
    • 3-(4-Methyl-piperazin-1-ylmethyl)benzoic acid
    • 3-(4-methyl-piperazin-1-ylmethyl)-benzoic acid, 95%
    • DB-001621
    • MDL： MFCD01202932
    • Inchi： 1S/C13H18N2O2/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(9-11)13(16)17/h2-4,9H,5-8,10H2,1H3,(H,16,17)
    • InChI Key： SMSCFZLMSBEZQU-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=CC(=C1)CN1CCN(C)CC1)=O

Computed Properties

  • Exact Mass: 234.13700
  • Monoisotopic Mass: 234.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 262
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 383.7±32.0 °C at 760 mmHg
  • Flash Point: 185.8±25.1 °C
  • Refractive Index: 1.58
  • PSA: 43.78000
  • LogP: 1.00800
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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

3-(4-Methylpiperazin-1-ylmethyl)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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