Cas no 1201633-51-3 ((3-Nitrophenyl)propylamine hydrochloride)

(3-Nitrophenyl)propylamine hydrochloride is a nitro-substituted aromatic amine derivative used as an intermediate in organic synthesis and pharmaceutical research. The compound features a propylamine linker terminated by a hydrochloride salt, enhancing its stability and solubility for further functionalization. The electron-withdrawing nitro group at the meta position influences reactivity, making it valuable for coupling reactions or as a precursor to more complex structures. Its crystalline form ensures consistent purity, while the hydrochloride salt improves handling and storage. This reagent is particularly useful in medicinal chemistry for the development of bioactive molecules, owing to its well-defined structure and compatibility with standard synthetic protocols.
(3-Nitrophenyl)propylamine hydrochloride structure
1201633-51-3 structure
Product Name:(3-Nitrophenyl)propylamine hydrochloride
CAS No:1201633-51-3
MF:C9H13ClN2O2
MW:216.664721250534
MDL:MFCD12195851
CID:1068542
PubChem ID:44229259
Update Time:2025-06-09

(3-Nitrophenyl)propylamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (3-Nitrophenyl)propylamine hydrochloride
    • 3-nitro-N-propylaniline,hydrochloride
    • 3-nitro-N-propylaniline;hydrochloride
    • AKOS005111129
    • 1201633-51-3
    • EN300-204005
    • DTXSID50657967
    • 3-nitro-N-propylaniline hydrochloride
    • 3-Nitro-N-propylaniline--hydrogen chloride (1/1)
    • MDL: MFCD12195851
    • Inchi: 1S/C9H12N2O2.ClH/c1-2-6-10-8-4-3-5-9(7-8)11(12)13;/h3-5,7,10H,2,6H2,1H3;1H
    • InChI Key: KLVIOEPFHWKBBQ-UHFFFAOYSA-N
    • SMILES: Cl.[O-][N+](C1=CC=CC(=C1)NCCC)=O

Computed Properties

  • Exact Mass: 216.0665554g/mol
  • Monoisotopic Mass: 216.0665554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 168
  • 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?2

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Additional information on (3-Nitrophenyl)propylamine hydrochloride

Compound CAS No. 1201633-51-3: (3-Nitrophenyl)propylamine Hydrochloride

(3-Nitrophenyl)propylamine hydrochloride, identified by the CAS registry number 1201633-51-3, is a significant compound in the field of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines a nitrophenyl group with a propylamine moiety, resulting in a molecule with potential applications in drug development and chemical synthesis.

The molecular structure of (3-nitrophenyl)propylamine hydrochloride consists of a nitro group attached to the third position of a phenyl ring, which is further connected to a propylamine chain. This configuration imparts the compound with distinct chemical properties, including its ability to form hydrogen bonds and participate in various chemical reactions. The hydrochloride salt form of this compound is particularly relevant in pharmaceutical applications due to its enhanced solubility and stability.

Recent studies have highlighted the potential of (3-nitrophenyl)propylamine hydrochloride as a precursor in the synthesis of bioactive molecules. Researchers have explored its role in the development of novel drugs targeting specific biological pathways, such as those involved in neurodegenerative diseases and cancer. The compound's ability to modulate enzyme activity and interact with cellular receptors makes it a valuable tool in drug discovery.

In addition to its pharmacological applications, (3-nitrophenyl)propylamine hydrochloride has been investigated for its role in chemical catalysis and material science. Its unique electronic properties make it a candidate for use in the development of advanced materials, such as conductive polymers and nanomaterials. Recent advancements in green chemistry have also led to the exploration of more sustainable methods for synthesizing this compound, reducing its environmental footprint.

The synthesis of (3-nitrophenyl)propylamine hydrochloride typically involves multi-step reactions, including nitration, alkylation, and acid-base neutralization. These processes are optimized to ensure high yields and purity, which are critical for its application in research and industry. The compound's stability under various conditions has been extensively studied, providing insights into its suitability for different chemical environments.

From an environmental perspective, understanding the degradation pathways of (3-nitrophenyl)propylamine hydrochloride is essential for assessing its impact on ecosystems. Recent research has focused on biodegradation studies, revealing that the compound can undergo microbial transformation under specific conditions, reducing its persistence in the environment.

In conclusion, (3-nitrophenyl)propylamine hydrochloride, CAS No. 1201633-51-3, is a versatile compound with diverse applications across multiple scientific disciplines. Its structural properties, combined with ongoing research into its synthesis and applications, position it as an important molecule in both academic and industrial settings.

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