Cas no 80531-15-3 (Benzo1,3dioxole-5-carboxamidine hydrochloride)

Benzo[1,3]dioxole-5-carboxamidine hydrochloride is a chemically synthesized compound featuring a benzodioxole core coupled with a carboxamidine functional group, rendered as its hydrochloride salt for enhanced stability and solubility. This structure imparts reactivity suitable for applications in organic synthesis, particularly as a building block for heterocyclic compounds or pharmaceutical intermediates. The hydrochloride form ensures improved handling and storage characteristics. Its well-defined molecular architecture allows for precise modifications in medicinal chemistry research. The compound is typically characterized by high purity, making it reliable for laboratory use. Care should be taken to follow standard safety protocols due to its reactive functional groups.
Benzo1,3dioxole-5-carboxamidine hydrochloride structure
80531-15-3 structure
Product Name:Benzo1,3dioxole-5-carboxamidine hydrochloride
CAS No:80531-15-3
MF:C8H9ClN2O2
MW:200.622260808945
MDL:MFCD06804507
CID:985766
PubChem ID:11194999
Update Time:2025-06-25

Benzo1,3dioxole-5-carboxamidine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzodioxole-5-carboximidamide hydrochloride (1:1)
    • BENZO[1,3]DIOXOLE-5-CARBOXAMIDINE HYDROCHLORIDE
    • BENZO[D][1,3]DIOXOLE-5-CARBOXIMIDAMIDE HYDROCHLORIDE
    • Benzo[1,3]dioxole-5-carboxamidine HCl
    • 1,3-benzodioxole-5-carboximidamide;hydrochloride
    • 2H-1,3-benzodioxole-5-carboximidamide hydrochloride
    • 6155AH
    • AB30281
    • Benzo[1,3dioxole-5-carboxamidine hydrochloride
    • 1,3-benzodioxole-5-carboximidamide hydrochloride
    • 1,3-Benzodioxole-5-carboximidamide, monohydrochloride (9CI)
    • MFCD06804507
    • CS-0331027
    • 1,3-dioxaindane-5-carboximidamide hydrochloride
    • BENZO[D][1,3]DIOXOLE-5-CARBOXIMIDAMIDEHYDROCHLORIDE
    • SCHEMBL3102294
    • DB-264353
    • AKOS005257772
    • YCQCHWGWPJUJEW-UHFFFAOYSA-N
    • EN300-8156964
    • 80531-15-3
    • Benzo1,3dioxole-5-carboxamidine hydrochloride
    • MDL: MFCD06804507
    • Inchi: 1S/C8H8N2O2.ClH/c9-8(10)5-1-2-6-7(3-5)12-4-11-6;/h1-3H,4H2,(H3,9,10);1H
    • InChI Key: YCQCHWGWPJUJEW-UHFFFAOYSA-N
    • SMILES: Cl.N=C(C1C=C2C(OCO2)=CC=1)N

Computed Properties

  • Exact Mass: 200.0352552 g/mol
  • Monoisotopic Mass: 200.0352552 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 196
  • 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: 68.3
  • Molecular Weight: 200.62

Benzo1,3dioxole-5-carboxamidine hydrochloride Pricemore >>

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Additional information on Benzo1,3dioxole-5-carboxamidine hydrochloride

Benzo[1,3]dioxole-5-carboxamidine hydrochloride: A Comprehensive Overview

Benzo[1,3]dioxole-5-carboxamidine hydrochloride, with the CAS number 80531-15-3, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which includes a benzo[1,3]dioxole ring system and a carboxamidine group. The benzo[1,3]dioxole moiety is a bicyclic structure that has been extensively studied for its potential in drug design due to its ability to enhance bioavailability and stability. The carboxamidine group further adds functional versatility to the molecule, making it a promising candidate for various applications in medicinal chemistry.

The synthesis of Benzo[1,3]dioxole-5-carboxamidine hydrochloride involves a series of well-established organic reactions. The process typically begins with the preparation of the benzo[1,3]dioxole ring system, which can be achieved through cyclization reactions involving appropriate diols and ketones. Subsequent steps involve the introduction of the carboxamidine group, often through amide bond formation or related methodologies. The hydrochloride salt form is commonly used in pharmaceutical applications due to its improved solubility and stability compared to the free base.

Recent studies have highlighted the potential of Benzo[1,3]dioxole-5-carboxamidine hydrochloride as a lead compound in the development of novel therapeutic agents. Research has focused on its ability to modulate various biological targets, including enzymes, receptors, and ion channels. For instance, a study published in 2022 demonstrated that this compound exhibits potent inhibitory activity against certain kinases involved in cancer progression. This finding underscores its potential as an anti-cancer agent.

In addition to its pharmacological applications, Benzo[1,3]dioxole-5-carboxamidine hydrochloride has also been explored for its role in materials science. Its unique electronic properties make it a candidate for use in organic electronics and optoelectronic devices. Researchers have investigated its ability to act as a charge transport material in organic light-emitting diodes (OLEDs), where it has shown promise in enhancing device efficiency and stability.

The safety profile of Benzo[1,3]dioxole-5-carboxamidine hydrochloride has also been a subject of recent investigations. Preclinical studies indicate that it exhibits low toxicity at therapeutic doses, making it a favorable candidate for further development. However, additional research is required to fully understand its long-term effects and potential for off-target interactions.

In conclusion, Benzo[1,3]dioxole-5-carboxamidine hydrochloride, with CAS number 80531-15-3, represents a versatile compound with wide-ranging applications across multiple disciplines. Its unique chemical structure and functional groups make it an attractive target for both academic research and industrial development. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in advancing science and technology.

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