3-Imino-5-isopropyl-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile CAS 95059-16-8
| CAS No. | 95059-16-8 |
| Molecular Formula | C14H16N4O2 |
| Molecular Weight | 272.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Imino-5-isopropyl-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 95059-16-8), molecular formula C14H16N4O2 and molecular weight 272.30 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H16N4O2, 3-Imino-5-isopropyl-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 272.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 3-Imino-5-isopropyl-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C14H16N4O2 |
| Molecular Weight | 272.30 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 4 |
Related Imino Standards
- 3-Imino-1,7-dimethyl-5-propyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile (CAS 95059-15-7)
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- 4-Imino-1-(2-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-amine (CAS 1416342-91-0)
- 4-Imino-1-(4-methoxy-2-methylphenyl)-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-amine (CAS 1416342-99-8)
- 2-Imino-10-methyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile (CAS 95059-21-5)
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