Hydroxy Bupropion-d6
Impurity reference standard
- CAS number
- 1216893-18-3
- InChIKey
- RCOBKSKAZMVBHT-XERRXZQWSA-N
- Molecular formula
- C13H12D6ClNO2
- Molecular weight
- 261.78
- Exact mass
- 261.1403 Da
- Purity
- 95%+
- Appearance
- Off-White to Pale Brown Solid
- Storage
- -20℃±5℃
About Hydroxy Bupropion-d6
Hydroxy Bupropion-d6 is supplied as an analytical reference standard. It is registered under CAS number 1216893-18-3.
The compound is characterised by its molecular formula C13H12D6ClNO2 and a molecular weight of 261.78, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 261.1403 Da, a calculated LogP of 2.27, a topological polar surface area of 41.49 Ų. It presents 2 hydrogen-bond donors and 3 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 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: -20℃±5℃.
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)
- 2.27
- Topological polar surface area
- 41.49 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Rings
- 2
- Defined stereocentres
- 2
Frequently asked questions
What purity does Hydroxy Bupropion-d6 ship at?
Hydroxy Bupropion-d6 is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Hydroxy Bupropion-d6 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 Hydroxy Bupropion-d6 uniquely identified?
The InChIKey RCOBKSKAZMVBHT-XERRXZQWSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Hydroxy Bupropion-d6?
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 Hydroxy Bupropion-d6?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Hydroxy Bupropion-d6 be stored?
Recommended storage: -20℃±5℃.
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.