3-((1,4-Diazepan-1-yl)methyl)benzonitrile CAS 500878-94-4
| CAS No. | 500878-94-4 |
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-((1,4-Diazepan-1-yl)methyl)benzonitrile (CAS 500878-94-4), molecular formula C13H17N3 and molecular weight 215.29 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H17N3, 3-((1,4-Diazepan-1-yl)methyl)benzonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 215.29 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
CATO manufactures 3-((1,4-Diazepan-1-yl)methyl)benzonitrile 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 | C13H17N3 |
| Molecular Weight | 215.29 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 3 |
Related Diazepan Standards
- 2-[(1,4-Diazepan-1-yl)methyl]benzonitrile (CAS 1016677-87-4)
- 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile (CAS 166438-80-8)
- 2-(4-Methyl-1,4-diazepan-1-yl)benzonitrile (CAS 204078-93-3)
- 4-[(1,4-Diazepan-1-yl)methyl]benzonitrile (CAS 199928-77-3)
- 1,4-diazepan-1-yl(2-thienyl)methanone (CAS 683274-51-3)
- 2-(1,4-diazepan-1-yl)-1H-benzimidazole (CAS 692724-14-4)
- 6-(4-Methyl-1,4-diazepan-1-yl)nicotinonitrile (CAS 910108-88-2)
- 3-(1,4-Diazepan-1-yl)-N,N-diethylpropan-1-amine (CAS 1365969-66-9)
Recommended Standards
- 2-Pentylquinolin-4-ol (CAS 62869-70-9)
- 3-(1h-1,3-Benzodiazol-2-yl)cyclohexan-1-amine (CAS 933759-56-9)
- 2-methyl-1-(piperidin-4-yl)-1H-1,3-benzodiazole (CAS 79098-81-0)
- 3-(1-Methylpiperidin-4-yl)-1H-indazole (CAS 98294-53-2)
- Z-Gly-Phe-Ala-OH (CAS 3480-80-6)
- 1-(4-Bromobenzenesulfonyl)-N-phenylpyrrolidine-2-carboxamide (CAS 317377-72-3)
- 2-((4-Bromobenzyl)thio)-1h-benzo[d]imidazole (CAS 296273-25-1)
- 1-Methyl-4-nitro-1H-pyrrol-3-amine (CAS 72083-66-0)
- 4-Chloro-5-fluoro-2-pyridinemethanol (CAS 113209-90-8)
- 2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetohydrazide (CAS 189822-88-6)
- Sodium Diacetate (CAS 126-96-5)
- 1-(2-Propoxynaphthalen-1-yl)ethanone (CAS 1443307-26-3)
- Flurbiprofen Impurity 42 (CAS CATO-C4X-144442)
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