Cas no 120-94-5 (1-Methylpyrrolidine)

1-Methylpyrrolidine (CAS 120-94-5) is a cyclic tertiary amine with the molecular formula C?H??N. This colorless to pale yellow liquid is characterized by its strong amine odor and high solubility in water and organic solvents. It serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications, where its basicity and nucleophilicity are advantageous. The compound is also employed as a catalyst in polymerization reactions and as a solvent in specialized processes. Its stability under typical reaction conditions and relatively low toxicity make it a practical choice for industrial and laboratory use. Storage under inert atmosphere is recommended to prevent degradation.
1-Methylpyrrolidine structure
1-Methylpyrrolidine structure
Product Name:1-Methylpyrrolidine
CAS No:120-94-5
MF:C5H11N
MW:85.1475412845612
MDL:MFCD00003173
CID:35975
PubChem ID:24897203
Update Time:2025-10-21

1-Methylpyrrolidine Chemical and Physical Properties

Names and Identifiers

    • 1-Methylpyrrolidine
    • N-Methylpyrrolidine
    • 1-methyl
    • 1-methyl-pyrrolidin
    • 1-methyl-pyrrolidine
    • Methylpyrrolidine
    • N-methyl-pyrrolidine
    • Pyrrolidine,1-methyl
    • Pyrrolidine,l-methyl
    • Pyrrolidine,N-methyl
    • NSC 65579
    • 1-Methylpyrrodine
    • cefepiMe iMpurity G
    • Cefepime Impurity 1
    • Pyrrolidine,l-methyl-
    • MDL: MFCD00003173
    • Inchi: 1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
    • InChI Key: AVFZOVWCLRSYKC-UHFFFAOYSA-N
    • SMILES: C1N(C)CCC1

Computed Properties

  • Exact Mass: 85.08910
  • Monoisotopic Mass: 85.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 37.2
  • 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: nothing
  • Topological Polar Surface Area: 3.2A^2

Experimental Properties

  • Color/Form: Colorless transparent volatile liquid
  • Density: 0.819?g/mL?at 25?°C(lit.)
  • Melting Point: -90 oC
  • Boiling Point: 80-81?°C(lit.)
  • Flash Point: Fahrenheit: 1.4 ° f < br / > Celsius: -17 ° C < br / >
  • Refractive Index: n20/D 1.425
  • PH: 11.3 (1g/l, H2O)
  • Solubility: 213g/l
  • Water Partition Coefficient: fully miscible
  • PSA: 3.24000
  • LogP: 0.64990
  • Sensitiveness: Sensitive to air
  • pka: 10.32(at 25℃)
  • Vapor Pressure: 79.6±0.1 mmHg at 25°C

1-Methylpyrrolidine Security Information

  • Symbol: GHS02 GHS05 GHS07
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H225,H302,H314
  • Warning Statement: P210,P280,P305+P351+P338,P310
  • Hazardous Material transportation number:UN 2924 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11-22-34
  • Safety Instruction: S16-S26-S36/37/39-S45-S61-S29
  • RTECS:UY1420500
  • Hazardous Material Identification: F C N
  • Packing Group:II
  • Hazard Level:3
  • Safety Term:3
  • Packing Group:II
  • Risk Phrases:R11; R20/22; R35; R51/53
  • HazardClass:3
  • PackingGroup:II
  • TSCA:Yes
  • Explosive Limit:1.1-9.1%(V)
  • Storage Condition:Flammable area

1-Methylpyrrolidine Customs Data

  • HS CODE:2921300090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Methylpyrrolidine Pricemore >>

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1-Methylpyrrolidine Suppliers

HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
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(CAS:120-94-5)1-甲基吡咯烷
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1-Methylpyrrolidine Related Literature

Additional information on 1-Methylpyrrolidine

1-Methylpyrrolidine: A Comprehensive Overview

1-Methylpyrrolidine, also known by its CAS number 120-94-5, is a versatile organic compound with significant applications in various industries. This compound, classified under the broader category of azacyclic compounds, has garnered attention due to its unique chemical properties and potential for use in advanced materials and pharmaceuticals. Recent studies have highlighted its role in enhancing the efficiency of certain chemical processes, making it a subject of interest for researchers and industry professionals alike.

The chemical structure of 1-Methylpyrrolidine consists of a five-membered ring with one nitrogen atom and a methyl group attached to the nitrogen. This structure contributes to its amphiprotic nature, allowing it to act as both a base and a weak acid under specific conditions. Its molecular formula is C5H11N, and it has a molecular weight of approximately 87.16 g/mol. The compound is typically synthesized through methods such as the Gabriel synthesis or by the alkylation of pyrrolidine, which has been optimized in recent years to improve yield and reduce environmental impact.

One of the most notable applications of 1-Methylpyrrolidine is in the field of pharmaceuticals. It serves as an intermediate in the synthesis of various drugs, including antiviral agents and antibiotics. For instance, recent research has explored its role in the development of novel antiviral compounds targeting emerging pathogens, showcasing its potential in combating global health challenges. Additionally, its ability to form stable complexes with metal ions has led to its use in catalysis, particularly in asymmetric synthesis, where it enhances reaction selectivity and efficiency.

In the realm of agricultural chemistry, 1-Methylpyrrolidine has been investigated for its potential as a component in pesticides and herbicides. Its ability to enhance the bioavailability of active ingredients has been a focal point of recent studies, with promising results indicating improved efficacy while reducing environmental toxicity. This dual functionality makes it a valuable asset in sustainable agricultural practices.

The compound's physical properties also contribute to its versatility. It has a boiling point of around 83°C at standard pressure, making it suitable for processes requiring moderate thermal stability. Its solubility in both polar and non-polar solvents further broadens its applicability across different industrial settings. Recent advancements in analytical techniques have allowed for more precise characterization of these properties, enabling better process control and optimization.

From an environmental standpoint, understanding the degradation pathways of 1-Methylpyrrolidine is crucial for assessing its ecological impact. Studies have shown that it undergoes microbial degradation under aerobic conditions, with half-lives ranging from several days to weeks depending on environmental factors such as temperature and pH levels. These findings are essential for developing strategies to minimize its persistence in ecosystems.

Recent breakthroughs in computational chemistry have also shed light on the electronic structure and reactivity of 1-Methylpyrrolidine at the molecular level. Advanced quantum mechanical calculations have provided insights into its interaction with other molecules, paving the way for innovative applications in materials science. For example, researchers are exploring its potential as a building block for advanced polymers with tailored mechanical and electronic properties.

In conclusion, 1-Methylpyrrolidine (CAS No. 120-94-5) stands out as a multifaceted compound with applications spanning pharmaceuticals, agriculture, and materials science. Its unique chemical properties, coupled with recent advancements in synthesis and application techniques, position it as a key player in addressing contemporary challenges across various industries. As research continues to uncover new potentials for this compound, its role in shaping future technologies is expected to grow significantly.

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