3,7-Diazabicyclo[3.3.0]octane CAS 5840-00-6
| CAS No. | 5840-00-6 |
| Molecular Formula | C6H12N2 |
| Molecular Weight | 112.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3,7-Diazabicyclo[3.3.0]octane (CAS 5840-00-6), molecular formula C6H12N2 and molecular weight 112.17 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3,7-Diazabicyclo[3.3.0]octane (C6H12N2) contains a nitrile group. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 112.17 g/mol, it falls into the low-molecular-weight range. 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 |
| Molecular Weight | 112.17 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 2 |
Related Diazabicyclo Standards
- 3-Methyl-3,6-diazabicyclo[3.1.1]heptane (CAS 1059700-16-1)
- 6-Methyl-3,6-diazabicyclo[3.2.0]heptane (CAS 1300091-93-3)
- 3-Methyl-3,6-diazabicyclo[3.2.0]heptane (CAS 1511662-92-2)
- 6-methyl-3,6-diazabicyclo[3.1.1]heptane (CAS 1538734-96-1)
- 1,3-Diazabicyclo[2.2.2]octane (CAS 280-48-8)
- 1,3-Diazabicyclo[3.2.1]octane (CAS 20419-27-6)
- 1,4-Diazabicyclo[4.2.0]octane (CAS 31029-60-4)
- 2,5-Diazabicyclo[2.2.2]octane (CAS 658-24-2)
Recommended Standards
- 3,4,5,6-Tetrahydro-2H-azepin-7-amine (CAS 2214-67-7)
- 3,7-Diazabicyclo[4.2.0]octane (CAS 63105-76-0)
- 3,3-Dimethylpent-4-yn-1-ol (CAS 67099-41-6)
- 3,8-Diazabicyclo[3.2.1]octane (CAS 280-06-8)
- 2-Morpholino-1,1-diphenylethan-1-ol (CAS 13150-37-3)
- 3-(3-chlorophenyl)but-2-enoic acid (CAS 91552-07-7)
- 8-Iodo-7-methoxyquinoline (CAS 1935979-35-3)
- 1-(2-Bromo-1-isobutoxyethyl)-4-chlorobenzene (CAS 1251365-21-5)
- 4'-Fluoro-3-methoxy-1,1'-biphenyl (CAS 10540-43-9)
- 193551-21-2 HII3DC8CPI SB-239063 SB 239063 UNII-HII3DC8CPI Cyclohexanol, 4-(4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl)-, trans- trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyridimidin-4-yl)imidazole (CAS 193551-21-2)
- Ethyl 1-[4-nitro-2-(1H-pyrrol-1-yl)-phenyl]piperidine-4-carboxylate (CAS 1992986-10-3)
- 3-Methyl-5-(prop-1-en-2-yl)-2,3-dihydrobenzofuran-6-ol (CAS 199991-76-9)
- Bay 41-4109 (CAS 298708-81-3)
- Semaglutide Impurity 6 (CAS 62-57-7)
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