1-(3-Nitrobenzyl)azepane CAS 414880-13-0
| CAS No. | 414880-13-0 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1-(3-Nitrobenzyl)azepane (C13H18N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 234.29 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
1-(3-Nitrobenzyl)azepane (CAS 414880-13-0), molecular formula C13H18N2O2 and molecular weight 234.29 g/mol, is a CATO reference standard with documented purity and traceability.
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.
As a certified reference material (CRM), 1-(3-Nitrobenzyl)azepane meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.29 g/mol |
| Appearance | Off-white to pale 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
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- 1-(3-Nitrobenzyl)piperidin-4-one (CAS 1016507-83-7)
- 3-(4-Nitrobenzyl)-1H-pyrrole-2,5-dione (CAS 80301-56-0)
- (S)-3-(2-Nitrobenzyl)piperazin-2-one (CAS 1240587-01-2)
- 3-(4-Nitrobenzyl)piperazin-2-one (CAS 1246548-53-7)
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Recommended Standards
- 1-(3-Methyl-4-nitrophenyl)azepane (CAS 847455-50-9)
- 1-(4-Cyclohexylphenyl)-2,2-dihydroxyethanone (CAS 99433-89-3)
- 1-(3-Methoxyphenyl)cyclohexane-1-carboxylic acid (CAS 36263-61-3)
- 1-(4-Ethoxyphenyl)cyclopentane-1-carboxylic acid (CAS 61492-48-6)
- Fmoc-N-Me-Ala(4-Thz)-OH (CAS 1446478-22-3)
- 1H-Pyrazolo[1,5-a]imidazol-7-amine dihydrochloride (CAS 1428742-81-7)
- 1-Methyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (CAS 72704-31-5)
- Boc-Cys(Dpm)-OH (CAS 21947-97-7)
- (E)-N-(2-(2-(3,4-Dimethoxybenzylidene)hydrazinyl)-2-oxoethyl)benzamide (CAS 137205-04-0)
- 4-Methoxy-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CAS 338956-45-9)
- 2-(2-(tert-Butyl)phenoxy)-N-cyclohexylacetamide (CAS 304892-56-6)
- 2-{[(4-nitrophenyl)amino]methylidene}-2,3-dihydro-1H-indene-1,3-dione (CAS 40462-01-9)
- 3-Chloro-2-methylsulfonylnitrobenzene (CAS 91912-35-5)
- Tirzepatide Impurity 9 (CAS CATO-C4X-32409)
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