NNK-d3 , CAS No.86270-92-0

CAS: 86270-92-0 Cat. No.: N1444908 Formula: C₁₀D₃H₁₀N₃O₂ Molecular Weight: 210.25 EC Number: 635-201-8 PubChem CID: 6913511

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

NNK -d3 is the deuterium labeled NNK.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CN(CCCC(=O)C1=CN=CC=C1)N=O
• IUPAC Name: N-(4-oxo-4-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide
• InChIKey: FLAQQSHRLBFIEZ-FIBGUPNXSA-N
• INCHI: 1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3/i1D3
• Isomeric SMILES: [2H]C([2H])([2H])N(CCCC(=O)C1=CN=CC=C1)N=O
• WGK Germany: 3
• PubChem CID: 6913511
• Molecular Weight: 210.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Organic N-nitroso compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyridine - Heteroaromatic compound - Organic n-nitroso compound - Organic nitroso compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86270-92-0, the molecular formula is C10D3H10N3O2, and the molecular weight is 210.25 g/mol. InChIKey FLAQQSHRLBFIEZ-FIBGUPNXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.