Cas no 68133-98-2 (N-4-Nitrobenzyl-N-Propylamine Hydrochloride)

N-4-Nitrobenzyl-N-Propylamine Hydrochloride is a synthetic organic compound characterized by its nitrobenzyl and propylamine functional groups, rendered as a hydrochloride salt for enhanced stability and solubility. This compound is primarily utilized in pharmaceutical and chemical research, serving as an intermediate in the synthesis of more complex molecules. Its nitro group offers reactivity for further functionalization, while the hydrochloride form ensures consistent handling and storage. The product is valued for its purity and well-defined chemical properties, making it suitable for applications requiring precise molecular modifications. Proper handling under controlled conditions is recommended due to its reactive nature.
N-4-Nitrobenzyl-N-Propylamine Hydrochloride structure
68133-98-2 structure
Product Name:N-4-Nitrobenzyl-N-Propylamine Hydrochloride
CAS No:68133-98-2
MF:C10H15ClN2O2
MW:230.691301584244
MDL:MFCD00012845
CID:90410
PubChem ID:24853263
Update Time:2025-06-07

N-4-Nitrobenzyl-N-Propylamine Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-nitro-N-propylbenzylamine hydrochloride
    • 4-Nitrobenzyl-n-propylamine hydrochloride~4-Nitro-N-propylbenzylamine hydrochloride
    • N-(n-Propyl)-4-nitrobenzylamine hydrochloride
    • 4-Nitro-N-(n-propyl)benzylamine hydrochloride
    • N-4-NITROBENZYL-N-PROPYLAMINE HYDROCHLORIDE
    • PNBPA
    • A836026
    • N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
    • 68133-98-2
    • FT-0619243
    • AKOS015843799
    • p-Nitrobenzyl-N-propylamine, hydrochloride
    • N-(4-Nitrobenzyl)propylamine hydrochloride
    • AS-78447
    • Benzenemethanamine, 4-nitro-N-propyl-, monohydrochloride
    • N-(4-Nitrobenzyl)propan-1-amine hydrochloride
    • p-Nitro-N-propylbenzylamine hydrochloride
    • N-[(4-nitrophenyl)methyl]-1-propanamine hydrochloride
    • N-[(4-nitrophenyl)methyl]propan-1-amine hydrochloride
    • MFCD00012845
    • EINECS 268-721-5
    • NS00063242
    • Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)
    • SCHEMBL21879604
    • N-4-Nitrobenzyl- N-n-propylaminhydrochlorid
    • 4-Nitro-N-propylbenzylamine hydrochloride, 98%
    • DTXSID2071150
    • DTXCID6045585
    • LWISLZIFEARHJI-UHFFFAOYSA-N
    • [(4-nitrophenyl)methyl](propyl)amine hydrochloride
    • DB-055109
    • N-4-Nitrobenzyl-N-Propylamine Hydrochloride
    • MDL: MFCD00012845
    • Inchi: 1S/C10H14N2O2.ClH/c1-2-7-11-8-9-3-5-10(6-4-9)12(13)14;/h3-6,11H,2,7-8H2,1H3;1H
    • InChI Key: LWISLZIFEARHJI-UHFFFAOYSA-N
    • SMILES: Cl.[O-][N+](C1C=CC(=CC=1)CNCCC)=O
    • BRN: 3714783

Computed Properties

  • Exact Mass: 230.08200
  • Monoisotopic Mass: 230.082205
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 172
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.8
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Slightly white powder.
  • Melting Point: 233-235?°C (lit.)
  • Boiling Point: 307.1°Cat760mmHg
  • Flash Point: 139.5°C
  • Water Partition Coefficient: Soluble in water.
  • PSA: 57.85000
  • LogP: 3.81050
  • Solubility: Not determined

N-4-Nitrobenzyl-N-Propylamine Hydrochloride Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • FLUKA BRAND F CODES:8-10-21
  • Hazardous Material Identification: Xi
  • TSCA:Yes
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S36
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

N-4-Nitrobenzyl-N-Propylamine Hydrochloride 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%

N-4-Nitrobenzyl-N-Propylamine Hydrochloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
N900733-50mg
N-4-Nitrobenzyl-N-Propylamine Hydrochloride
68133-98-2
50mg
$ 50.00 2022-06-03
TRC
N900733-100mg
N-4-Nitrobenzyl-N-Propylamine Hydrochloride
68133-98-2
100mg
$ 65.00 2022-06-03
TRC
N900733-500mg
N-4-Nitrobenzyl-N-Propylamine Hydrochloride
68133-98-2
500mg
$ 95.00 2022-06-03
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA01321-5g
4-Nitro-N-(n-propyl)benzylamine hydrochloride
68133-98-2 98%
5g
¥2058.0 2024-07-19
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
221910-5G
N-4-Nitrobenzyl-N-Propylamine Hydrochloride
68133-98-2 98%
5G
¥1427.29 2022-02-24
abcr
AB124911-1 g
4-Nitro-N-(n-propyl)benzylamine hydrochloride, 98%; .
68133-98-2 98%
1 g
€141.50 2023-07-20
abcr
AB124911-5 g
4-Nitro-N-(n-propyl)benzylamine hydrochloride, 98%; .
68133-98-2 98%
5 g
€208.10 2023-07-20
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
N921351-1g
4-Nitro-N-propylbenzylamine hydrochloride
68133-98-2 98%
1g
¥799.20 2022-09-01
A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI
A19308-1g
4-Nitro-N-(n-propyl)benzylamine hydrochloride, 99%
68133-98-2 99%
1g
¥489.00 2023-07-20
A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI
A19308-5g
4-Nitro-N-(n-propyl)benzylamine hydrochloride, 99%
68133-98-2 99%
5g
¥1745.00 2023-07-20

N-4-Nitrobenzyl-N-Propylamine Hydrochloride Related Literature

Additional information on N-4-Nitrobenzyl-N-Propylamine Hydrochloride

Professional Introduction to N-4-Nitrobenzyl-N-Propylamine Hydrochloride (CAS No. 68133-98-2)

N-4-Nitrobenzyl-N-Propylamine Hydrochloride, a compound with the chemical identifier CAS No. 68133-98-2, is a specialized chemical entity that has garnered significant attention in the field of pharmaceutical research and development. This compound, characterized by its hydrochloride salt form, exhibits unique chemical properties that make it valuable in various scientific applications, particularly in the synthesis of bioactive molecules and the investigation of pharmacological mechanisms.

The molecular structure of N-4-Nitrobenzyl-N-Propylamine Hydrochloride consists of a nitrobenzyl group linked to a propylamine moiety, with the hydrochloride salt enhancing its solubility in aqueous solutions. This structural configuration imparts specific reactivity and stability, making it a versatile intermediate in organic synthesis. The nitro group, a key feature of this compound, can participate in various chemical transformations, including reduction to an amine or diazotization reactions, which are pivotal in the development of pharmaceutical intermediates.

In recent years, N-4-Nitrobenzyl-N-Propylamine Hydrochloride has been explored in the context of drug discovery and molecular biology research. Its ability to serve as a precursor in the synthesis of more complex molecules has made it a subject of interest for medicinal chemists. For instance, researchers have utilized this compound to develop novel ligands for enzyme inhibition studies, where its structural framework allows for precise modifications to optimize binding affinity and selectivity.

One of the most compelling aspects of N-4-Nitrobenzyl-N-Propylamine Hydrochloride is its role in the synthesis of probes and tools for biochemical assays. The nitrobenzyl group can be readily functionalized to introduce various labels or tags, such as fluorescent dyes or biotin, enabling its use in high-throughput screening and diagnostic applications. Furthermore, its hydrochloride salt form enhances its compatibility with biological systems, facilitating its use in cell-based assays and protein interaction studies.

Recent advancements in computational chemistry have also highlighted the potential of N-4-Nitrobenzyl-N-Propylamine Hydrochloride as a scaffold for drug design. Molecular modeling studies have demonstrated that slight modifications to its structure can lead to compounds with enhanced pharmacokinetic properties. This has spurred interest in developing derivatives of this compound that could exhibit improved efficacy and reduced toxicity in therapeutic applications.

The pharmacological profile of N-4-Nitrobenzyl-N-Propylamine Hydrochloride is another area of active investigation. Preliminary studies suggest that derivatives of this compound may interact with specific biological targets, making them candidates for treating various diseases. While comprehensive clinical trials are still under way, these early findings are promising and warrant further exploration. The compound's unique chemical properties make it an attractive candidate for developing new therapeutic agents targeting neurological disorders, cardiovascular diseases, and other conditions where precise molecular intervention is required.

From an industrial perspective, the production and application of N-4-Nitrobenzyl-N-Propylamine Hydrochloride highlight the importance of specialized chemical synthesis techniques. The synthesis process requires careful optimization to ensure high yield and purity, which are critical for pharmaceutical-grade materials. Advances in green chemistry have also influenced the development methodologies for this compound, emphasizing sustainable practices that minimize waste and energy consumption.

The regulatory landscape surrounding N-4-Nitrobenzyl-N-Propylamine Hydrochloride is another factor that influences its adoption in research and industry. Compliance with Good Manufacturing Practices (GMP) and other regulatory standards ensures that the compound meets stringent quality control measures. This adherence to regulatory guidelines not only enhances safety but also fosters trust among stakeholders involved in drug development and commercialization.

In conclusion, N-4-Nitrobenzyl-N-Propylamine Hydrochloride (CAS No. 68133-98-2) is a multifaceted compound with significant potential in pharmaceutical research and application. Its unique chemical properties, coupled with its versatility as a synthetic intermediate and probe molecule, make it a valuable asset in modern drug discovery efforts. As research continues to uncover new applications and derivatives of this compound, its importance is likely to grow further, contributing to advancements in medicine and biotechnology.

Recommended suppliers
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd