Research chemical

N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

CAS Number: 138261-41-3

N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide molecular structure, CAS 138261-41-3 — Chemical structure

Product details

Identity & specification

Molecular formula: C9H10ClN5O2
Molecular weight: 255.66 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

86418

Exact Mass

255.052302

InChIKey

YWTYJOPNNQFBPC-UHFFFAOYSA-N

SMILES String

C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl

Physical Properties

Appearance

Solid

Melting Point

143–144 °C

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XLogP

0.8

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

Computed Structure Descriptors

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Heavy atom count

17

H-bond acceptors

7

H-bond donors

1

Rotatable bonds

3

Ring count

2

Aromatic rings

1

Topological polar surface area

83.66 Å²

Computed LogP

0.69

Fragment-like structure rule

No

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide (CAS 138261-41-3) is listed in the Life Science portfolio, with molecular formula C9H10ClN5O2 and molecular weight 255. 66 g/mol.

Sourcing context

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

Research use context

Intended for life-science research and analytical workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Danger; hazard codes: H301, H410; For research use only.

Applications & Classification

Life Science ResearchResearch 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: Acetylcholine receptor subunit beta-like 2 (Drosophila melanogaster) — 4 assays; Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica) — 7 assays; Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 3 assays; Acetylcholine receptor subunit alpha (Torpedo californica) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Acetylcholine receptor subunit beta-like 2

Drosophila melanogaster · SINGLE PROTEIN · 4 qualifying assays · 3 documents · best pChEMBL 8.64

Experimental evidence source: ChEMBL

Nicotinic acetylcholine receptor alpha 5 subunit

Musca domestica · SINGLE PROTEIN · 7 qualifying assays · 7 documents · best pChEMBL 8.59

Experimental evidence source: ChEMBL

Neuronal acetylcholine receptor subunit alpha-4

Gallus gallus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.01

Experimental evidence source: ChEMBL

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.1

Experimental evidence source: ChEMBL

Acetylcholine receptor subunit alpha

Torpedo californica · SINGLE PROTEIN · 4 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

Stability and reactivity.
Carbon monoxide, carbon dioxide, hydrogen chloride, nitrogen oxides.

Disposal

Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
Contact a professional agency with a waste disposal license to handle this substance.

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Fire Fighting

If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

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

Synonyms & references

Names & Synonyms

1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine1-((6-Chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitro-1H-imidazol-2-amineIMIDACLOPRID [MI]IMIDACLOPRID [HSDB]IMIDACLOPRID [MART.]

Show all synonyms

IMIDACLOPRID [GREEN BOOK]N-[1-[(6-chloranylpyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramideIMIDACLOPRID [EMA EPAR VETERINARY]Imidacloprid for veterinary use [EP monograph]SBI-0654649.0001

External Identifiers

UNII: 3BN7M937V8HMDB ID: HMDB0040292

Experimental Spectrum References

13C NMR Spectra 1H NMR Spectra ATR-IR Spectra — Forensic Spectral Research FTIR Spectra — Forensic Spectral Research Raman Spectra — Forensic Spectral Research

Literature & Patent References

DOI 10.6019/CHEMBL4651402Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators DOI 10.1101/2020.04.21.054387Identification of potential treatments for COVID-19 through artificial intelligence-enabled phenomic analysis of human cells infected with SARS-CoV-2 DOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen DOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effort DOI 10.1016/j.ejmech.2018.08.002Pyrrole: An insight into recent pharmacological advances with structure activity relationship.PMID 30119011Pyrrole: An insight into recent pharmacological advances with structure activity relationship.

Documentation & Compliance Facts

Compliance Facts

Signal word: Danger

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H301, H410

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P501, P273, P270, P264, P391, P301+P310+P330, P405

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

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

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

Procurement notes

Sourcing context and documentation notes

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Package and specification

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Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 138261-41-3 in stock?

N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 138261-41-3?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.