N-nitroso-methylethanolamine
Impurity reference standard
- CAS number
- 26921-68-6
- InChIKey
- GFOKXZBYAVRDMO-UHFFFAOYSA-N
- Molecular formula
- C3H8N2O2
- Molecular weight
- 104.11
- Exact mass
- 104.0586 Da
About N-nitroso-methylethanolamine
N-nitroso-methylethanolamine is supplied as an analytical reference standard. It is registered under CAS number 26921-68-6.
The compound is characterised by its molecular formula C3H8N2O2 and a molecular weight of 104.11, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 104.0586 Da, a calculated LogP of -0.41, a topological polar surface area of 52.90 Ų. It presents 1 hydrogen-bond donor and 3 acceptors. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- -0.41
- Topological polar surface area
- 52.90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Rings
- 0
- Elemental composition
- C 34.61% · H 7.75% · N 26.91% · O 30.74%
Frequently asked questions
Does N-nitroso-methylethanolamine come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is N-nitroso-methylethanolamine uniquely identified?
The InChIKey GFOKXZBYAVRDMO-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for N-nitroso-methylethanolamine?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for N-nitroso-methylethanolamine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.