3-Carboxy Detomidine
Impurity reference standard
- CAS number
- 115664-39-6
- InChIKey
- UYLYCKVCJPJDEL-UHFFFAOYSA-N
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
- Exact mass
- 216.0899 Da
- Purity
- 95%+
- Appearance
- White to Pale Brown Solid
- Storage
- 2℃ ~ 8℃
About 3-Carboxy Detomidine
3-Carboxy Detomidine is supplied as an analytical reference standard. It is registered under CAS number 115664-39-6.
The compound is characterised by its molecular formula C12H12N2O2 and a molecular weight of 216.24, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 216.0899 Da, a calculated LogP of 2.01, a topological polar surface area of 65.98 Ų. It presents 2 hydrogen-bond donors and 2 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)
- 2.01
- Topological polar surface area
- 65.98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Rings
- 2
- Elemental composition
- C 66.65% · H 5.59% · N 12.96% · O 14.80%
Frequently asked questions
What purity does 3-Carboxy Detomidine ship at?
3-Carboxy Detomidine is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 3-Carboxy Detomidine 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 3-Carboxy Detomidine uniquely identified?
The InChIKey UYLYCKVCJPJDEL-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 3-Carboxy Detomidine?
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 3-Carboxy Detomidine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 3-Carboxy Detomidine 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.