Cas no 1187927-38-3 (methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride)

Methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride is a heterocyclic amine derivative featuring a 1,2-oxazole (isoxazole) core functionalized with a methylaminomethyl group and isolated as its hydrochloride salt. This compound is of interest in medicinal and synthetic chemistry due to its structural versatility, serving as a key intermediate in the development of pharmacologically active molecules. The hydrochloride form enhances stability and solubility, facilitating handling and storage. Its reactive amine group allows for further functionalization, making it valuable for constructing complex molecular architectures. The isoxazole moiety contributes to potential bioactivity, often explored in drug discovery for its role in modulating biological targets. Suitable for controlled laboratory use under standard safety protocols.
methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride structure
1187927-38-3 structure
Product Name:methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride
CAS No:1187927-38-3
MF:C5H9ClN2O
MW:148.590759992599
MDL:MFCD06738799
CID:1090305
PubChem ID:53408598
Update Time:2025-05-20

methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-(Isoxazol-3-yl)-N-methylmethanamine hydrochloride
    • N-methyl-1-(1,2-oxazol-3-yl)methanamine,hydrochloride
    • Isoxazol-3-ylmethyl-methyl-amine hydrochloride
    • methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride
    • 1-(ISOXAZOL-3-YL)-N-METHYLMETHANAMINEHYDROCHLORIDE
    • N-methyl-1-(1,2-oxazol-3-yl)methanamine;hydrochloride
    • MFCD06738799
    • AKOS022185839
    • F2147-8061
    • AT10962
    • (Isoxazol-3-ylmethyl)methylamine hydrochloride
    • BS-36974
    • CS-0315256
    • 1187927-38-3
    • 1-(ISOXAZOL-3-YL)-N-METHYLMETHANAMINE HCL
    • AB27911
    • (3-ISOXAZOLYLMETHYL)METHYLAMINE HYDROCHLORIDE
    • ISOXAZOL-3-YLMETHYL-METHYL-AMINE HCL
    • MDL: MFCD06738799
    • Inchi: 1S/C5H8N2O.ClH/c1-6-4-5-2-3-8-7-5;/h2-3,6H,4H2,1H3;1H
    • InChI Key: DLEAWAPTTLHCMM-UHFFFAOYSA-N
    • SMILES: Cl.O1C=CC(CNC)=N1

Computed Properties

  • Exact Mass: 148.0403406g/mol
  • Monoisotopic Mass: 148.0403406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 67.4
  • 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: 38.1?2

methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride Pricemore >>

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Additional information on methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride

Comprehensive Overview of Methyl[(1,2-Oxazol-3-yl)methyl]amine Hydrochloride (CAS No. 1187927-38-3)

Methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride, identified by the CAS registry number 1187927-38-3, is a compound of significant interest in various scientific and industrial applications. This compound belongs to the class of heterocyclic amines, specifically featuring an oxazole ring system. The oxazole moiety is a five-membered ring containing one oxygen and one nitrogen atom, which contributes to its unique chemical properties and reactivity. The presence of the hydrochloride salt indicates that this compound exists in its protonated form, making it more soluble in aqueous solutions and suitable for various chemical processes.

The structure of methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride can be broken down into its constituent parts: the oxazole ring, the methyl group attached to the nitrogen atom, and the hydrochloride counterion. The oxazole ring is known for its aromaticity and stability, which makes it a valuable component in many organic compounds. The methyl group enhances the compound's lipophilicity, while the hydrochloride salt ensures optimal solubility for applications such as pharmaceutical formulations or chemical reactions requiring precise control over pH levels.

Recent studies have highlighted the potential of methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride in drug discovery and development. Researchers have explored its role as a building block for constructing bioactive molecules with potential therapeutic applications. For instance, its ability to act as a chelating agent has been investigated in the context of metalloenzyme inhibition, a promising avenue for developing novel anticancer agents. Additionally, its use as a precursor in the synthesis of more complex heterocyclic compounds has been documented in several peer-reviewed journals.

In terms of synthesis, methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride can be prepared through various routes, including nucleophilic substitution and condensation reactions. One common method involves the reaction of an appropriate oxazole derivative with methylating agents under controlled conditions. The formation of the hydrochloride salt typically occurs during the workup phase when acidic conditions are applied to ensure complete protonation of the amine group.

The physical properties of this compound are also worth noting. Its molecular weight is approximately 165.64 g/mol, with a melting point around 200°C under standard conditions. The compound is sparingly soluble in organic solvents but exhibits enhanced solubility in polar protic solvents such as water and methanol due to the presence of hydrogen bonding capabilities from both the oxazole ring and the hydrochloride ion.

From an environmental standpoint, methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride has been assessed for its biodegradability and ecotoxicological effects. Studies indicate that it undergoes moderate biodegradation under aerobic conditions, with degradation rates influenced by factors such as temperature and pH levels. Its ecotoxicological profile suggests low acute toxicity to aquatic organisms when exposed to concentrations within typical environmental ranges.

In conclusion, methyl[(1,2-oxazol-3-y l)methyl]amine hydrochloride (CAS No. 1187927-38-3) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and favorable physical properties make it an attractive candidate for further research and development in fields ranging from pharmaceuticals to materials science. As ongoing studies continue to uncover new insights into its potential uses, this compound is poised to play an increasingly important role in advancing scientific innovation.

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