N-Nitroso Adenine
Impurity reference standard
- CAS number
- 2615274-45-6
- InChIKey
- DCDVVZZIUVRPLZ-UHFFFAOYSA-N
- Molecular formula
- C5H4N6O
- Molecular weight
- 164.12
- Exact mass
- 164.0447 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About N-Nitroso Adenine
N-Nitroso Adenine is supplied as an analytical reference standard. It is registered under CAS number 2615274-45-6.
The compound is characterised by its molecular formula C5H4N6O and a molecular weight of 164.12, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 164.0447 Da, a calculated LogP of -0.06, a topological polar surface area of 99.05 Ų. It presents 1 hydrogen-bond donor and 6 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 reporting purity of 95%+ 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. Recommended storage: 2℃ ~ 8℃.
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)
- -0.06
- Topological polar surface area
- 99.05 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Rings
- 2
- Elemental composition
- C 36.59% · H 2.46% · N 51.21% · O 9.75%
Frequently asked questions
What purity does N-Nitroso Adenine ship at?
N-Nitroso Adenine is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does N-Nitroso Adenine 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 Adenine uniquely identified?
The InChIKey DCDVVZZIUVRPLZ-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 Adenine?
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 Adenine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should N-Nitroso Adenine be stored?
Recommended storage: 2℃ ~ 8℃.
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.