N-Nitrosodimethylamine-d₆ - ≥98 atom% D,≥98% , CAS No.17829-05-9

CAS: 17829-05-9 Cat. No.: N471951 Molecular Weight: 80.12 EC Number: 685-211-1

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

N-Nitroso-dimethylamine D6 1000 microg/mL in Methanol | N-Nitroso-dimethylamine D6 | Methan-d3-amine, N-(methyl-d3)-N-nitroso- | N-(Methyl-d3)-N-nitrosomethan-d3-amine | N-Nitroso-dimethylamine D6 100 microg/mL in Acetone | N-Nitrosodimethylamine-d6 | Dim

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

This product is provided as delivered and specified by the USP Pharmacopoeia. For further information and support, including certificate/ product information sheets, please go to the website of the issuing Pharmacopoeia.

Specifications

Synonyms

N-Nitroso-dimethylamine D6 1000 microg/mL in Methanol | N-Nitroso-dimethylamine D6 | Methan-d3-amine, N-(methyl-d3)-N-nitroso- | N-(Methyl-d3)-N-nitrosomethan-d3-amine | N-Nitroso-dimethylamine D6 100 microg/mL in Acetone | N-Nitrosodimethylamine-d6 | Dim

Specifications & Purity

≥98 atom% D, ≥98%

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.

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Pubchem Sid: 504757300
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757300
• Canonical Smiles: CN(C)N=O
• IUPAC Name: N,N-bis(trideuteriomethyl)nitrous amide
• InChIKey: UMFJAHHVKNCGLG-WFGJKAKNSA-N
• INCHI: 1S/C2H6N2O/c1-4(2)3-5/h1-2H3/i1D3,2D3
• Isomeric SMILES: [2H]C([2H])([2H])N(C([2H])([2H])[2H])N=O
• Alternate CAS: 62-75-9（unlabelled）
• UN Number: 1230
• Packing Group: II
• Molecular Weight: 80.12
• Reaxy-Rn: 1738979
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738979&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Organic nitroso compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic N-nitroso compounds
• Alternative Parents: Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic n-nitroso compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic n-nitroso compounds. These are organic compounds containing a n-nitroso group -NN=O.
• 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

Chemical and Physical Properties

• Sensitivity: heat sensitive
• Boil Point(°C): 153 °C (307 °F)
• Molecular Weight: 80.120 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 80.0857 Da
• Monoisotopic Mass: 80.0857 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 34.600
• Isotope Atom Count: 6
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zhe Chen, Dandan Rao, Jian Zhang, Bo Sun.  (2025)  pH-Dependent Reactivity, Radical Pathways, and Nitrosamine Byproduct Formation in Peroxynitrite-Mediated Advanced Oxidation Processes.  Water,  18  (1): (97).  [PMID:] [10.3390/w18010097]