Cas no 2258-21-1 (3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine)

3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine is a versatile intermediate in organic synthesis, characterized by its imidazole and primary amine functional groups. This compound is particularly valuable in pharmaceutical and agrochemical research due to its ability to act as a building block for heterocyclic derivatives. The presence of the 2-methylimidazole moiety enhances its reactivity in nucleophilic substitution and coordination chemistry, while the propylamine linker provides flexibility for further functionalization. Its stability under standard conditions and compatibility with a range of reaction conditions make it a practical choice for developing biologically active molecules. The compound is typically handled under inert atmospheres to preserve its integrity.
3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine structure
2258-21-1 structure
Product Name:3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine
CAS No:2258-21-1
MF:C7H13N3
MW:139.198220968246
MDL:MFCD00272462
CID:42691
PubChem ID:329763355
Update Time:2025-06-13

3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine
    • 2-METHYL-1H-IMIDAZOLE-1-PROPANAMINE
    • 3-(2-methylimidazol-1-yl)propan-1-amine
    • 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine(SALTDATA: 2HCl)
    • 3-(2-METHYL-1H-IMIDAZOL-1-YL)PROPYLAMINE
    • 3-(2-Methyl-imidazol-1-yl)-propylamine
    • 3-(2-Methylimidazol-1-yl)propylamine
    • 1H-Imidazole-1-propanamine,2-methyl-
    • 1-(3-Aminopropyl)-2-methyl-1H-imidazole
    • 3-(2-methylimidazolyl)propylamine
    • ZERO/001889
    • rarechem al bw 1148
    • NDUDHWBKFFJGM
    • HMS1697K06
    • 3-(2-methyl-1h-imidazol-1-yl)-1-propanamine
    • MFCD00272462
    • 2258-21-1
    • Z271005732
    • EN300-45488
    • 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHALENE
    • FT-0612900
    • D84147
    • J-640095
    • AKOS000144854
    • AMY3582
    • DTXSID20389980
    • J-800098
    • SCHEMBL137042
    • 1-(3'-aminopropyl)-2-methylimidazole
    • BB 0219987
    • BS-22379
    • NDUDHWBKFFJGMA-UHFFFAOYSA-N
    • 3-(2-methyl-1H-imidazol-1-yl)propanamine
    • CS-0152772
    • 1-(3-aminopropyl)-2-methylimidazole
    • 1-(3-Aminopropyl)-2-methyl-1H-imidazole, 96%
    • A910178
    • BCP30900
    • STK681111
    • MDL: MFCD00272462
    • Inchi: 1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
    • InChI Key: NDUDHWBKFFJGMA-UHFFFAOYSA-N
    • SMILES: N1(C=CN=C1C)CCCN

Computed Properties

  • Exact Mass: 139.11100
  • Monoisotopic Mass: 139.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 94.9
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.2
  • Topological Polar Surface Area: 43.8

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.028?g/mL?at 25?°C
  • Boiling Point: 288.3 °C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.517
  • PSA: 43.84000
  • LogP: 1.24060
  • Solubility: Not determined

3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H302-H314
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 2735PSN1 8 / PGII
  • WGK Germany:1
  • Hazard Category Code: 22-34
  • Safety Instruction: S22; S26; S36/37
  • Hazardous Material Identification: Xn Xi
  • HazardClass:8
  • PackingGroup:
  • Risk Phrases:R36/37/38; R42/43

3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. 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:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine

Introduction to 3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine and Its Significance in Modern Chemical Biology

3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine, a compound with the CAS number 2258-21-1, represents a fascinating intersection of organic chemistry and pharmaceutical innovation. This heterocyclic amine derivative has garnered significant attention in recent years due to its versatile applications in drug discovery and chemical biology. The compound's unique structural features, characterized by a 2-methyl-1H-imidazole moiety linked to a propylamine group, make it a valuable scaffold for developing novel therapeutic agents.

The 2-methyl-1H-imidazole ring system is known for its stability and ability to engage in hydrogen bonding, properties that are highly desirable in medicinal chemistry. This structural motif has been extensively explored in the design of small-molecule inhibitors targeting various biological pathways. The propylamine side chain introduces additional functional flexibility, allowing for further derivatization and optimization of pharmacokinetic profiles. Such structural attributes have positioned 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine as a key intermediate in the synthesis of bioactive molecules.

In the realm of pharmaceutical research, 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine has been investigated for its potential role in modulating enzyme activity and receptor interactions. Recent studies have highlighted its utility in the development of compounds targeting inflammatory pathways, particularly those involving cytokine receptors and signal transduction cascades. The imidazole ring's ability to mimic natural biomolecules has enabled the design of selective antagonists that can modulate immune responses without significant off-target effects.

The compound's relevance extends to the field of chemical biology, where it serves as a building block for creating complex molecular probes. Researchers have leveraged its structural framework to develop tools that facilitate the study of protein-protein interactions and post-translational modifications. These probes are essential for unraveling the intricate networks that govern cellular processes, providing insights into disease mechanisms and potential therapeutic interventions.

One of the most compelling aspects of 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine is its adaptability in synthetic chemistry. The presence of both an amine and an imidazole moiety allows for diverse functionalization strategies, including coupling with carboxylic acids via amide bond formation or participating in nucleophilic substitution reactions. This chemical versatility has been exploited in the synthesis of peptidomimetics and other constrained analogs designed to enhance binding affinity and metabolic stability.

The pharmaceutical industry has also shown interest in 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine as a starting material for large-scale production of proprietary drugs. Its well-documented synthetic pathways and favorable physicochemical properties make it an attractive candidate for industrial processes. Moreover, the compound's compatibility with various purification techniques ensures high yields and purity levels, which are critical for regulatory compliance and commercial viability.

Advances in computational chemistry have further enhanced the utility of 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine in drug discovery. Molecular modeling studies have revealed its potential as a scaffold for designing molecules with improved pharmacokinetic profiles, such as enhanced solubility and reduced toxicity. These simulations have guided the optimization of lead compounds, accelerating the transition from bench to bedside.

The compound's role in addressing unmet medical needs has not gone unnoticed by academic researchers. Collaborative efforts between academia and industry have led to innovative applications, particularly in the treatment of rare diseases where traditional drug development approaches have faced challenges. By leveraging the unique properties of 3-(2-methyl-1H-imidazol-1-ylopropanamino), researchers have identified novel therapeutic candidates that are currently undergoing preclinical evaluation.

The future prospects for 3-(2-methyl-lH-imidazol-l-yI)propan-l-amino remain promising as new synthetic methodologies continue to emerge. Advances in flow chemistry and biocatalysis have opened up avenues for more sustainable production processes, reducing waste and energy consumption while maintaining high product quality. These innovations align with global efforts to promote green chemistry principles and ensure environmental responsibility.

In conclusion, 3-(2-methyl-lH-imidazol-l-yI)propan-l-amino (CAS no: 225821) stands as a testament to the power of interdisciplinary research in driving pharmaceutical innovation. Its multifaceted applications across drug discovery, chemical biology, and industrial chemistry underscore its importance as a versatile building block. As scientific understanding continues to evolve, this compound will undoubtedly play an integral role in shaping the future of medicine.

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