3-methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride CAS 2089649-86-3
| CAS No. | 2089649-86-3 |
| Molecular Formula | C6H12N2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride is closely related to chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride (CAS 2089649-86-3), molecular formula C6H12N2HCl and molecular weight 148.63 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride (C6H12N2HCl) is characterized by chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C6H12N2 2*HCl |
| Molecular Weight | 148.63 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related methyl Standards
- 1,4-Diazabicyclo[4.3.1]decan-2-one (CAS 1000577-75-2)
- 7-Phenyl-1,4-diazabicyclo[4.1.0]heptan-5-one (CAS 100059-96-9)
- 2,5-Diazabicyclo[2.2.2]octane-3,6-dione (CAS 1004-98-4)
- 2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS 100944-14-7)
- 1,6-Diazabicyclo[3.2.1]octan-7-one (CAS 101080-06-2)
- 8-Ethyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS 101724-47-4)
- 3-Boc-3,6-diazabicyclo[3.2.0]heptane (CAS 1017789-34-2)
- 3-Benzyl-3,7-diazabicyclo[3.3.1]nonane dihydrochloride (CAS 1024011-04-8)
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