N1-Nitroso Bilastine
Impurity reference standard
- CAS number
- 2731008-04-9
- InChIKey
- IHOBDEFDXZXTHP-UHFFFAOYSA-N
- Molecular formula
- C12H14N4O
- Molecular weight
- 230.27
- Exact mass
- 230.1168 Da
- Purity
- 95%+
- Appearance
- Off-White Solid
- Storage
- 2℃ ~ 8℃
About N1-Nitroso Bilastine
N1-Nitroso Bilastine is supplied as an analytical reference standard. It is registered under CAS number 2731008-04-9.
The compound is characterised by its molecular formula C12H14N4O and a molecular weight of 230.27, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 230.1168 Da, a calculated LogP of 2.42, a topological polar surface area of 61.35 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 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)
- 2.42
- Topological polar surface area
- 61.35 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Rings
- 3
- Elemental composition
- C 62.59% · H 6.13% · N 24.33% · O 6.95%
Frequently asked questions
What purity does N1-Nitroso Bilastine ship at?
N1-Nitroso Bilastine is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does N1-Nitroso Bilastine 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 N1-Nitroso Bilastine uniquely identified?
The InChIKey IHOBDEFDXZXTHP-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 N1-Nitroso Bilastine?
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 N1-Nitroso Bilastine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should N1-Nitroso Bilastine 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.