Cas no 912771-31-4 ((1,3-Dimethylpyrrolidin-3-yl)methanamine)

(1,3-Dimethylpyrrolidin-3-yl)methanamine is a versatile amine compound featuring a pyrrolidine core with dual methyl substitutions at the 1 and 3 positions. The presence of the primary amine functional group on the 3-position methylene bridge enhances its reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its constrained cyclic structure contributes to stereochemical stability, while the tertiary amine moiety offers potential for further functionalization. The compound is particularly useful in the development of bioactive molecules, including CNS-targeting agents, due to its balanced lipophilicity and basicity. High purity grades are available to meet stringent research and industrial requirements. Proper handling under inert conditions is recommended due to its amine reactivity.
(1,3-Dimethylpyrrolidin-3-yl)methanamine structure
912771-31-4 structure
Product Name:(1,3-Dimethylpyrrolidin-3-yl)methanamine
CAS No:912771-31-4
MF:C7H16N2
MW:128.215341567993
CID:1003975
PubChem ID:329776343
Update Time:2025-06-14

(1,3-Dimethylpyrrolidin-3-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • (1,3-Dimethylpyrrolidin-3-yl)methanamine
    • 1-(1,3-DIMETHYLPYRROLIDIN-3-YL)METHANAMINE
    • CS-0054043
    • 912771-31-4
    • DTXSID80595787
    • 1-(1,3-Dimethyl-3-pyrrolidinyl)methanamine
    • AKOS022184946
    • SCHEMBL10691941
    • SB11628
    • 1-(1,3-Dimethylpyrrolidin-3-yl)methanamine, AldrichCPR
    • MFCD09055201
    • EN300-2984478
    • AT32903
    • BS-38739
    • AKOS000558514
    • C-(1,3-Dimethyl-pyrrolidin-3-yl)-methylamine
    • MDL： MFCD09055201
    • Inchi： 1S/C7H16N2/c1-7(5-8)3-4-9(2)6-7/h3-6,8H2,1-2H3
    • InChI Key： HBEGEQPEVWXGGD-UHFFFAOYSA-N
    • SMILES： N1(C)CCC(C)(CN)C1

Computed Properties

  • Exact Mass: 128.131348519g/mol
  • Monoisotopic Mass: 128.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 103
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 29.3?2

Experimental Properties

  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 139.7±8.0 °C at 760 mmHg
  • Flash Point: 41.2±13.6 °C
  • Vapor Pressure: 6.3±0.3 mmHg at 25°C

(1,3-Dimethylpyrrolidin-3-yl)methanamine Security Information

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Additional information on (1,3-Dimethylpyrrolidin-3-yl)methanamine

Comprehensive Overview of (1,3-Dimethylpyrrolidin-3-yl)methanamine (CAS No. 912771-31-4): Properties, Applications, and Industry Insights

The compound (1,3-Dimethylpyrrolidin-3-yl)methanamine, identified by its CAS No. 912771-31-4, is a specialized organic molecule gaining traction in pharmaceutical and chemical research. This pyrrolidine derivative is characterized by its unique structural features, including a dimethyl-substituted pyrrolidine ring and an aminomethyl functional group. Its molecular framework makes it a versatile intermediate for synthesizing bioactive compounds, particularly in drug discovery and material science.

In recent years, the demand for heterocyclic amines like (1,3-Dimethylpyrrolidin-3-yl)methanamine has surged due to their role in developing central nervous system (CNS) therapeutics. Researchers are exploring its potential as a building block for neurotransmitter modulators and GPCR-targeted drugs, aligning with the growing focus on neurological disorders and mental health treatments. The compound’s lipophilic properties and hydrogen-bonding capacity further enhance its utility in optimizing drug bioavailability.

From a synthetic chemistry perspective, CAS No. 912771-31-4 is often utilized in reductive amination and N-alkylation reactions. Its sterically hindered amine group offers selectivity advantages in catalytic processes, a topic frequently searched in organic synthesis forums and patent literature. Industry professionals also highlight its compatibility with flow chemistry techniques, which are pivotal for green chemistry initiatives and sustainable manufacturing—a trending topic in 2024.

The analytical characterization of (1,3-Dimethylpyrrolidin-3-yl)methanamine typically involves NMR spectroscopy, mass spectrometry, and HPLC purity testing. These methods ensure compliance with stringent pharmaceutical-grade standards, addressing common queries about quality control in fine chemical production. Additionally, its stability under ambient storage conditions makes it a practical choice for industrial-scale applications.

Emerging discussions in AI-driven drug discovery platforms frequently reference scaffolds like 912771-31-4 for virtual screening libraries. This aligns with the increasing integration of machine learning in medicinal chemistry, where such compounds are evaluated for ADMET properties (absorption, distribution, metabolism, excretion, and toxicity). Notably, its low cytotoxicity profile in preliminary studies has sparked interest in preclinical research.

Regulatory and safety data for CAS No. 912771-31-4 emphasize its handling under standard laboratory safety protocols. While not classified as hazardous, proper personal protective equipment (PPE) is recommended during synthesis—a point often raised in chemical safety databases and MSDS documentation.

In conclusion, (1,3-Dimethylpyrrolidin-3-yl)methanamine represents a promising candidate for advancing precision medicine and catalysis research. Its multifaceted applications, from small-molecule drug development to material innovation, position it at the intersection of cutting-edge science and industrial relevance. As the scientific community continues to explore its potential, this compound is poised to play a pivotal role in addressing contemporary challenges in healthcare and sustainable chemistry.

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