N-Nitrosopropranolol (Mixture of Isomers)
Impurity reference standard
- CAS number
- 84418-35-9
- InChIKey
- TXYRHXNLIUKPMM-UHFFFAOYSA-N
- Molecular formula
- C16H20N2O3
- Molecular weight
- 288.34
- Exact mass
- 288.1474 Da
About N-Nitrosopropranolol (Mixture of Isomers)
N-Nitrosopropranolol (Mixture of Isomers) is supplied as an analytical reference standard. It is registered under CAS number 84418-35-9.
The compound is characterised by its molecular formula C16H20N2O3 and a molecular weight of 288.34, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 288.1474 Da, a calculated LogP of 2.97, a topological polar surface area of 62.13 Ų. It presents 1 hydrogen-bond donor and 4 acceptors. The structure carries 1 defined stereocentre, 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)
- 2.97
- Topological polar surface area
- 62.13 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Rings
- 2
- Defined stereocentres
- 1
- Elemental composition
- C 66.65% · H 6.99% · N 9.72% · O 16.65%
Frequently asked questions
Does N-Nitrosopropranolol (Mixture of Isomers) 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-Nitrosopropranolol (Mixture of Isomers) uniquely identified?
The InChIKey TXYRHXNLIUKPMM-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-Nitrosopropranolol (Mixture of Isomers)?
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-Nitrosopropranolol (Mixture of Isomers)?
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.