N-Nitroso Labetalol (Mixture of Diastereomers)
Impurity reference standard
- CAS number
- 2820170-74-7
- InChIKey
- KQZMONDKWBDGEU-UHFFFAOYSA-N
- Molecular formula
- C19H23N3O4
- Molecular weight
- 357.4
- Exact mass
- 357.1689 Da
About N-Nitroso Labetalol (Mixture of Diastereomers)
N-Nitroso Labetalol (Mixture of Diastereomers) is supplied as an analytical reference standard. It is registered under CAS number 2820170-74-7.
The compound is characterised by its molecular formula C19H23N3O4 and a molecular weight of 357.4, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 357.1689 Da, a calculated LogP of 2.53, a topological polar surface area of 116.22 Ų. It presents 3 hydrogen-bond donors and 5 acceptors. The structure carries 2 defined stereocentres, which is relevant wherever a stereochemically defined standard is required. 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)
- 2.53
- Topological polar surface area
- 116.22 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Rings
- 2
- Defined stereocentres
- 2
- Elemental composition
- C 63.85% · H 6.49% · N 11.76% · O 17.91%
Frequently asked questions
Does N-Nitroso Labetalol (Mixture of Diastereomers) 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 Labetalol (Mixture of Diastereomers) uniquely identified?
The InChIKey KQZMONDKWBDGEU-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 Labetalol (Mixture of Diastereomers)?
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 Labetalol (Mixture of Diastereomers)?
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.