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Home/Compounds/CAS 616-47-7
Formula C4H6N2MW 82.1Research-use catalog entryCOA/SDS by request

1-Methylimidazole

CAS Number: 616-47-7

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Loading RDKit molecule structure...
InChIKey: MCTWTZJPVLRJOU-UHFFFAOYSA-NC4H6N2 | MW 82.1

Chemical Absolute Identifiers

CAS Number

616-47-7

PubChem CID

1390

Molecular Formula

C4H6N2

Molecular Weight

82.1 g/mol

Exact Mass

82.053098

InChIKey

MCTWTZJPVLRJOU-UHFFFAOYSA-N

SMILES String

Cn1ccnc1

Physical Properties

Melting Point

-6 °C

Boiling Point

195.5 °C

Density

1.03 g/cm³

Water Solubility

1 mg/L

pKa

6.95

Show more physical data

Vapor Pressure

Estimated value, unit not specified

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

1-Methylimidazole (CAS 616-47-7) is listed in the Advanced Chemicals portfolio, with molecular formula C4H6N2 and molecular weight 82. 10 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Organometallic ChemistrySynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Nuclear factor NF-kappa-B p105 subunit (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Nuclear factor NF-kappa-B p105 subunit

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 8.2

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

1-Methylimidazole

Names & Synonyms

1-Methyl-1H-imidazoleN-Methylimidazole1H-Imidazole, 1-methyl-IMIDAZOLE, 1-METHYL-1-methyl-1H-imidazol-3-ium
Show all synonyms
N-methylimidazol1-methylimidazoln-methyl imidazole1-methyl-imidazole1-methylimdazoleN1-MethylimidazoleAraldite DY 0703-methylimidazoleN-methyl-imidazolN-methyl-imidazole1-methyl imidazole1-N-methylImidazoleLopac-M-88781-methyl-(1H)-imidazole1-Methyl-1H-imidazole #
External Identifiers
EC NUMBER: 210-484-7DSSTOX SUBSTANCE ID: DTXSID6052291CHEMBL ID: CHEMBL543CHEBI ID: CHEBI:113454UNII: P4617QS63YDRUGBANK ID: DB02671HMDB ID: HMDB0243940METABOLOMICS WORKBENCH ID: 147241METABOLOMICS WORKBENCH ID: 66882WIKIDATA ID: Q4545792
Experimental Spectrum References
13C NMR Spectra15N NMR Spectra1D NMR Spectra1H NMR SpectraATR-IR SpectraFTIR SpectraNear IR Spectra — Prof. Buback, University of Goettingen, GermanyUV-VIS SpectraVapor Phase IR Spectra
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c02247Targeting QPCTL: An Emerging Therapeutic Opportunity.PMID 39746038Targeting QPCTL: An Emerging Therapeutic Opportunity.DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1016/j.ejmech.2008.12.004Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques.PMID 19128860Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques.DOI 10.1038/nchembio873Chemical genetics reveals a complex functional ground state of neural stem cells.PMID 17417631Chemical genetics reveals a complex functional ground state of neural stem cells.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

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RFQ questions for CAS 616-47-7

What are the key identifiers for 1-Methylimidazole (CAS 616-47-7)?

1-Methylimidazole is identified by CAS 616-47-7, with molecular formula C4H6N2, molecular weight 82.1, InChIKey MCTWTZJPVLRJOU-UHFFFAOYSA-N.

Does CAS 616-47-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Nuclear factor NF-kappa-B p105 subunit, Cytochrome P450 3A4. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 616-47-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 1-Methylimidazole?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 616-47-7 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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