Cas no 39998-48-6 (3-methyl-1-phenylhexahydropyridazine hydrochloride)

3-Methyl-1-phenylhexahydropyridazine hydrochloride is a heterocyclic organic compound featuring a pyridazine core with methyl and phenyl substituents. Its hydrochloride salt form enhances solubility and stability, making it suitable for synthetic applications in pharmaceutical and agrochemical research. The compound’s rigid structure and functional groups offer versatility as a building block for developing biologically active molecules. Its well-defined chemical properties facilitate precise modifications in medicinal chemistry, particularly in the design of CNS-targeting agents or enzyme inhibitors. The hydrochloride form ensures consistent handling and storage, while the compound’s purity and reactivity support reproducible results in experimental workflows.
3-methyl-1-phenylhexahydropyridazine hydrochloride structure
39998-48-6 structure
Product Name:3-methyl-1-phenylhexahydropyridazine hydrochloride
CAS No:39998-48-6
MF:C11H16N2
MW:176.258142471313
CID:1086294
PubChem ID:12571000
Update Time:2025-10-31

3-methyl-1-phenylhexahydropyridazine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-1-phenylhexahydropyridazine
    • 3-methyl-1-phenyldiazinane
    • 1-phenyl-3-methylhexahydropyridazine
    • 3-Methyl-1-phenyl-hexahydropyridazin
    • 3-methyl-1-phenyl-hexahydro-pyridazine
    • DB-194137
    • 3-METHYL-1-PHENYL-1,2-DIAZINANE
    • 39998-48-6
    • 3-Methyl-1-phenylhexahydropyridazine, AldrichCPR
    • DTXSID40502952
    • AKOS006281012
    • CHEMBRDG-BB 4010074
    • 3-methyl-1-phenylhexahydropyridazine hydrochloride
    • Inchi: 1S/C11H16N2/c1-10-6-5-9-13(12-10)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
    • InChI Key: LKXOGCXRDABXIA-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC=CC=2)CCCC(C)N1

Computed Properties

  • Exact Mass: 176.13100
  • Monoisotopic Mass: 176.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 152
  • 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: 2.7
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • Density: 0.991
  • Boiling Point: 260.1°C at 760 mmHg
  • Flash Point: 118°C
  • Refractive Index: 1.525
  • PSA: 15.27000
  • LogP: 2.57370

3-methyl-1-phenylhexahydropyridazine hydrochloride Security Information

  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T

3-methyl-1-phenylhexahydropyridazine hydrochloride Customs Data

  • HS CODE:2933990090
  • 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%

3-methyl-1-phenylhexahydropyridazine hydrochloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M358023-500mg
3-methyl-1-phenylhexahydropyridazine hydrochloride
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$ 50.00 2022-06-03
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M358023-1g
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$ 65.00 2022-06-03
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Additional information on 3-methyl-1-phenylhexahydropyridazine hydrochloride

Comprehensive Overview of 3-Methyl-1-phenylhexahydropyridazine hydrochloride (CAS No. 39998-48-6)

3-Methyl-1-phenylhexahydropyridazine hydrochloride (CAS No. 39998-48-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its unique hexahydropyridazine core, is often explored for its potential applications in medicinal chemistry and drug development. Researchers are particularly interested in its structural properties, which make it a valuable intermediate in synthesizing more complex molecules.

The hexahydropyridazine scaffold is a key feature of this compound, contributing to its stability and reactivity. The presence of a phenyl group and a methyl substituent further enhances its versatility, allowing it to participate in various chemical reactions. These attributes make 3-Methyl-1-phenylhexahydropyridazine hydrochloride a subject of ongoing studies, particularly in the context of designing novel therapeutic agents.

In recent years, the demand for custom synthesis and high-purity intermediates has surged, driven by advancements in drug discovery and personalized medicine. 3-Methyl-1-phenylhexahydropyridazine hydrochloride aligns with these trends, as it serves as a building block for developing targeted therapies. Its CAS No. 39998-48-6 is frequently searched in academic and industrial databases, reflecting its relevance in contemporary research.

Another area of interest is the compound's potential role in central nervous system (CNS) drug development. The hexahydropyridazine moiety is structurally similar to other bioactive molecules that interact with neurotransmitter systems. This similarity has prompted investigations into whether 3-Methyl-1-phenylhexahydropyridazine hydrochloride could be modified to enhance its pharmacological profile.

From a synthetic chemistry perspective, the compound's hydrochloride salt form improves its solubility and handling properties, making it more practical for laboratory use. This feature is particularly valuable for researchers working on scale-up processes or formulation development. The compound's stability under various conditions also makes it a reliable choice for long-term studies.

Environmental and safety considerations are increasingly important in chemical research. 3-Methyl-1-phenylhexahydropyridazine hydrochloride is generally regarded as safe for controlled laboratory use, provided standard protocols are followed. Its non-hazardous nature under typical conditions aligns with the growing emphasis on green chemistry and sustainable practices.

In summary, 3-Methyl-1-phenylhexahydropyridazine hydrochloride (CAS No. 39998-48-6) is a compound of significant scientific interest due to its structural features and potential applications. Its relevance to drug discovery, medicinal chemistry, and custom synthesis ensures its continued prominence in research. As the field evolves, this compound is likely to remain a focal point for innovative studies and applications.

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