Cas no 178624-90-3 (3-Methyl-1-(toluene-4-sulfonyl)-piperazine)

3-Methyl-1-(toluene-4-sulfonyl)-piperazine structure
178624-90-3 structure
Product Name:3-Methyl-1-(toluene-4-sulfonyl)-piperazine
CAS No:178624-90-3
MF:C12H18N2O2S
MW:254.348521709442
MDL:MFCD06795933
CID:112937
PubChem ID:10753459
Update Time:2025-04-18

3-Methyl-1-(toluene-4-sulfonyl)-piperazine Chemical and Physical Properties

Names and Identifiers

    • Piperazine,3-methyl-1-[(4-methylphenyl)sulfonyl]-
    • 3-methyl-1-(4-methylphenyl)sulfonylpiperazine
    • 3-METHYL-1-(TOLUENE-4-SULFONYL)-PIPERAZINE
    • M-1554
    • DTXSID70444452
    • CS-0208896
    • 178624-90-3
    • AS-11224
    • MFCD06795933
    • 3-Methyl-1-tosylpiperazine
    • AKOS014786505
    • Piperazine, 3-methyl-1-[(4-methylphenyl)sulfonyl]-
    • A919932
    • 3-Methyl-1-(toluene-4-sulfonyl)-piperazine
    • MDL: MFCD06795933
    • Inchi: 1S/C12H18N2O2S/c1-10-3-5-12(6-4-10)17(15,16)14-8-7-13-11(2)9-14/h3-6,11,13H,7-9H2,1-2H3
    • InChI Key: KVFXTJXVCJULLQ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(N1CCNC(C)C1)(=O)=O

Computed Properties

  • Exact Mass: 254.10900
  • Monoisotopic Mass: 254.10889899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 342
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 57.8?2

Experimental Properties

  • Melting Point: 113-118°C
  • PSA: 57.79000
  • LogP: 2.32490

3-Methyl-1-(toluene-4-sulfonyl)-piperazine Security Information

3-Methyl-1-(toluene-4-sulfonyl)-piperazine 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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3-Methyl-1-(toluene-4-sulfonyl)-piperazine Production Method

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