n-Hexatetracontane
Impurity reference standard
- CAS number
- 7098-24-0
- InChIKey
- PVQAQPUODMPGGG-UHFFFAOYSA-N
- Molecular formula
- C46H94
- Molecular weight
- 647.24
- Exact mass
- 646.7356 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About n-Hexatetracontane
n-Hexatetracontane is supplied as an analytical reference standard. It is registered under CAS number 7098-24-0.
The compound is characterised by its molecular formula C46H94 and a molecular weight of 647.24, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 646.7356 Da, a calculated LogP of 18.19, a topological polar surface area of 0.00 Ų. It presents 0 hydrogen-bond donors and 0 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)
- 18.19
- Topological polar surface area
- 0.00 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 43
- Heavy atoms
- 46
- Rings
- 0
- Elemental composition
- C 85.36% · H 14.64%
Frequently asked questions
What purity does n-Hexatetracontane ship at?
n-Hexatetracontane is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does n-Hexatetracontane 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-Hexatetracontane uniquely identified?
The InChIKey PVQAQPUODMPGGG-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-Hexatetracontane?
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-Hexatetracontane?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should n-Hexatetracontane 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.