N-Nitrosonornicotine Ketone
Impurity reference standard
- CAS number
- 64091-91-4
- InChIKey
- FLAQQSHRLBFIEZ-UHFFFAOYSA-N
- Molecular formula
- C10H13N3O2
- Molecular weight
- 207.23
- Exact mass
- 207.1008 Da
About N-Nitrosonornicotine Ketone
N-Nitrosonornicotine Ketone is supplied as an analytical reference standard. It is registered under CAS number 64091-91-4.
The compound is characterised by its molecular formula C10H13N3O2 and a molecular weight of 207.23, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 207.1008 Da, a calculated LogP of 1.66, a topological polar surface area of 62.63 Ų. It presents 0 hydrogen-bond donors and 4 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)
- 1.66
- Topological polar surface area
- 62.63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Rings
- 1
- Elemental composition
- C 57.96% · H 6.32% · N 20.28% · O 15.44%
Frequently asked questions
Does N-Nitrosonornicotine Ketone 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-Nitrosonornicotine Ketone uniquely identified?
The InChIKey FLAQQSHRLBFIEZ-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-Nitrosonornicotine Ketone?
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-Nitrosonornicotine Ketone?
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.