Cas no 499771-07-2 (1-Benzyl-4-(3-nitropyridin-2-yl)piperazine)

1-Benzyl-4-(3-nitropyridin-2-yl)piperazine is a heterocyclic compound featuring a benzyl-substituted piperazine core linked to a 3-nitropyridinyl moiety. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical research, particularly as an intermediate in the synthesis of bioactive molecules. The presence of both the electron-withdrawing nitro group and the basic piperazine ring enhances its versatility in nucleophilic substitution and coupling reactions. Its well-defined molecular architecture allows for precise modifications, making it valuable for structure-activity relationship (SAR) studies. The compound is typically characterized by high purity and stability under standard handling conditions, ensuring reliability in synthetic applications.
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine structure
499771-07-2 structure
Product Name:1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
CAS No:499771-07-2
MF:C16H18N4O2
MW:298.339723110199
MDL:MFCD02180918
CID:68296
PubChem ID:2800742
Update Time:2025-06-07

1-Benzyl-4-(3-nitropyridin-2-yl)piperazine Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
    • AC1MCTQL
    • AC1Q1WZZ
    • AG-F-67321
    • CTK4J1883
    • MolPort-001-820-610
    • Oprea1_637415
    • MFCD02180918
    • AKOS001308434
    • DTXSID30384183
    • 499771-07-2
    • AS-9141
    • CS-0269999
    • Z31198689
    • FT-0607399
    • MDL： MFCD02180918
    • Inchi： 1S/C16H18N4O2/c21-20(22)15-7-4-8-17-16(15)19-11-9-18(10-12-19)13-14-5-2-1-3-6-14/h1-8H,9-13H2
    • InChI Key： JSBNNOROVYIJTC-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CC=CN=C1N1CCN(CC2C=CC=CC=2)CC1)=O

Computed Properties

  • Exact Mass: 298.14300
  • Monoisotopic Mass: 298.14297583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 360
  • 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: 2.4
  • Topological Polar Surface Area: 65.2?2

Experimental Properties

  • Melting Point: 64 °C
  • PSA: 65.19000
  • LogP: 2.83810

1-Benzyl-4-(3-nitropyridin-2-yl)piperazine Security Information

1-Benzyl-4-(3-nitropyridin-2-yl)piperazine Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Benzyl-4-(3-nitropyridin-2-yl)piperazine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
OR110694-1g
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
1g
 ￡94.00 2025-02-19
Apollo Scientific
OR110694-5g
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
5g
 ￡374.00 2025-02-19
Apollo Scientific
OR110694-10g
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
10g
 ￡655.00 2025-02-19
Matrix Scientific
088930-1g
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
1g
 $198.00 2023-09-08
Matrix Scientific
088930-5g
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
5g
 $693.00 2023-09-08
Matrix Scientific
088930-10g
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
10g
 $1092.00 2023-09-08
TRC
B068225-250mg
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
250mg
 $ 210.00 2022-06-07
TRC
B068225-500mg
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
500mg
 $ 350.00 2022-06-07
TRC
B068225-1000mg
1-Benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2
1g
 $ 555.00 2022-06-07
Key Organics Ltd
AS-9141-1MG
1-benzyl-4-(3-nitropyridin-2-yl)piperazine
 499771-07-2 >90%
1mg
 ￡37.00 2025-02-09

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