Cas no 418774-60-4 ((1-ethylpropyl)(4-nitrobenzyl)amine)

(1-Ethylpropyl)(4-nitrobenzyl)amine is a secondary amine compound featuring a branched alkyl chain (1-ethylpropyl) and a nitro-substituted benzyl group. Its structural design combines steric hindrance from the alkyl moiety with the electron-withdrawing properties of the nitro group, making it a potential intermediate in organic synthesis, particularly for pharmaceuticals or agrochemicals. The nitrobenzyl group enhances reactivity in reduction or nucleophilic substitution reactions, while the branched alkyl chain may influence solubility and stability. This compound is suitable for applications requiring tailored amine derivatives, such as ligand design or catalytic systems. Proper handling is advised due to the nitro group’s potential sensitivity under certain conditions.
(1-ethylpropyl)(4-nitrobenzyl)amine structure
418774-60-4 structure
Product Name:(1-ethylpropyl)(4-nitrobenzyl)amine
CAS No:418774-60-4
MF:C12H18N2O2
MW:222.283523082733
CID:1085559
PubChem ID:871230
Update Time:2025-06-12

(1-ethylpropyl)(4-nitrobenzyl)amine Chemical and Physical Properties

Names and Identifiers

    • N-(4-Nitrobenzyl)pentan-3-amine
    • (1-ethylpropyl)(4-nitrobenzyl)amine(SALTDATA: HBr)
    • N-[(4-nitrophenyl)methyl]pentan-3-amine
    • AC1LHY3F
    • AG-F-48821
    • CTK4I5333
    • MolPort-002-771-449
    • Oprea1_752542
    • STK145500
    • AKOS000253112
    • DTXSID80357908
    • DB-200057
    • CHEMBRDG-BB 5537505
    • 418774-60-4
    • [(4-NITROPHENYL)METHYL](PENTAN-3-YL)AMINE
    • (1-ETHYLPROPYL)(4-NITROBENZYL)AMINE
    • (1-ethylpropyl)(4-nitrobenzyl)amine
    • Inchi： 1S/C12H18N2O2/c1-3-11(4-2)13-9-10-5-7-12(8-6-10)14(15)16/h5-8,11,13H,3-4,9H2,1-2H3
    • InChI Key： SRQUOYRAULLNEY-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(=CC=1)CNC(CC)CC)=O

Computed Properties

  • Exact Mass: 222.13700
  • Monoisotopic Mass: 222.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 204
  • 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: 3
  • Topological Polar Surface Area: 57.8?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 331.1±17.0 °C at 760 mmHg
  • Flash Point: 154.0±20.9 °C
  • PSA: 57.85000
  • LogP: 3.78710
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

(1-ethylpropyl)(4-nitrobenzyl)amine Security Information

(1-ethylpropyl)(4-nitrobenzyl)amine Customs Data

  • HS CODE：2921499090
  • Customs Data：

    China Customs Code:

    2921499090

    Overview:

    2921499090 Other aromatic monoamines and derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

(1-ethylpropyl)(4-nitrobenzyl)amine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B442108-50mg
(1-ethylpropyl)(4-nitrobenzyl)amine
 418774-60-4
50mg
 $ 50.00 2022-06-07
TRC
B442108-100mg
(1-ethylpropyl)(4-nitrobenzyl)amine
 418774-60-4
100mg
 $ 65.00 2022-06-07
TRC
B442108-500mg
(1-ethylpropyl)(4-nitrobenzyl)amine
 418774-60-4
500mg
 $ 80.00 2022-06-07

(1-ethylpropyl)(4-nitrobenzyl)amine Related Literature

Related Categories

Additional information on (1-ethylpropyl)(4-nitrobenzyl)amine

Research Briefing on (1-ethylpropyl)(4-nitrobenzyl)amine (CAS: 418774-60-4) in Chemical Biology and Pharmaceutical Applications

This research briefing provides an in-depth analysis of the latest advancements and applications of (1-ethylpropyl)(4-nitrobenzyl)amine (CAS: 418774-60-4) in the field of chemical biology and pharmaceutical sciences. The compound, characterized by its unique nitrobenzyl and ethylpropyl functional groups, has garnered significant attention due to its potential as a versatile intermediate in drug discovery and development. Recent studies have explored its role in modulating biological pathways, synthesizing novel therapeutics, and enhancing drug delivery systems.

Recent investigations into (1-ethylpropyl)(4-nitrobenzyl)amine have focused on its pharmacokinetic properties and interactions with biological targets. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a precursor in the synthesis of small-molecule inhibitors targeting specific enzymes involved in inflammatory responses. The study highlighted the compound's ability to improve bioavailability and reduce off-target effects, making it a promising candidate for further preclinical evaluation.

In addition to its pharmacological potential, (1-ethylpropyl)(4-nitrobenzyl)amine has been investigated for its role in chemical biology. Researchers have utilized its nitrobenzyl moiety as a photo-labile protecting group in controlled-release applications. A recent publication in ACS Chemical Biology detailed its use in light-activated drug delivery systems, where the compound facilitated precise spatiotemporal control over drug release, minimizing systemic toxicity and enhancing therapeutic outcomes.

The synthesis and optimization of (1-ethylpropyl)(4-nitrobenzyl)amine have also been a focal point of recent research. Advances in green chemistry methodologies have enabled more efficient and sustainable production routes, as reported in a 2024 study in Organic Process Research & Development. The study emphasized the compound's scalability and compatibility with environmentally friendly solvents, addressing critical challenges in industrial-scale pharmaceutical manufacturing.

Despite these promising developments, challenges remain in the clinical translation of (1-ethylpropyl)(4-nitrobenzyl)amine-based therapeutics. Issues such as metabolic stability and long-term safety profiles require further investigation. Ongoing research aims to address these gaps through structural modifications and advanced formulation strategies, as outlined in a recent review in Drug Discovery Today.

In conclusion, (1-ethylpropyl)(4-nitrobenzyl)amine (CAS: 418774-60-4) represents a multifaceted compound with significant potential in drug discovery and chemical biology. Its diverse applications, from enzyme inhibition to controlled drug release, underscore its value as a research tool and therapeutic agent. Future studies will likely focus on optimizing its properties for clinical use, paving the way for innovative treatments in areas such as inflammation, oncology, and targeted therapy.

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