N-nitrosyl-ammonium bromide
Impurity reference standard
- CAS number
- —
- InChIKey
- BBRREQGZEVPQCW-UHFFFAOYSA-N
- Molecular formula
- C14H17Br2N3O
- Molecular weight
- 403.11
- Exact mass
- 400.9738 Da
About N-nitrosyl-ammonium bromide
N-nitrosyl-ammonium bromide is supplied as an analytical reference standard. It has no single publicly registered CAS number, so it is defined by the structure and molecular formula below.
The compound is characterised by its molecular formula C14H17Br2N3O and a molecular weight of 403.11, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 400.9738 Da, a calculated LogP of 4.81, a topological polar surface area of 35.91 Ų. It presents 0 hydrogen-bond donors 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)
- 4.81
- Topological polar surface area
- 35.91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Rings
- 3
- Elemental composition
- Br 39.64% · C 41.71% · H 4.25% · N 10.42% · O 3.97%
Frequently asked questions
Does N-nitrosyl-ammonium bromide 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-nitrosyl-ammonium bromide uniquely identified?
The InChIKey BBRREQGZEVPQCW-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-nitrosyl-ammonium bromide?
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-nitrosyl-ammonium bromide?
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.