4,5A,6,7,8,9-hexahydrospiro[benzo[e][1,4]diazepine-5,1'-cyclohexane]-2,3-dicarbonitrile CAS 51802-64-3
| CAS No. | 51802-64-3 |
| Molecular Formula | C16H20N4 |
| Molecular Weight | 268.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4,5A,6,7,8,9-hexahydrospiro[benzo[e][1,4]diazepine-5,1'-cyclohexane]-2,3-dicarbonitrile (CAS 51802-64-3), molecular formula C16H20N4 and molecular weight 268.36 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4,5A,6,7,8,9-hexahydrospiro[benzo[e][1,4]diazepine-5,1'-cyclohexane]-2,3-dicarbonitrile (C16H20N4) contains a nitrogen-containing heterocyclic scaffold, a nitrile group. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 268.36 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
Physical & Chemical Properties
| Molecular Formula | C16H20N4 |
| Molecular Weight | 268.36 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Nitrogen Atoms | 4 |
Related A Standards
- 2,3,5,6,6',7'-Hexahydrospiro[pyran-4,5'-pyrazolo[5,1-b][1,3]oxazine]-2'-carboxylic acid (CAS 2413409-66-0)
- Ethyl hexahydrospiro[cyclopentane-1,3'-pyrrolizine]-1'-carboxylate (CAS 890094-73-2)
- Benzyl hexahydrospiro[indole-3,3'-piperidine]-1(2H)-carboxylate (CAS 1823468-69-4)
- 2',3,3',4,5',6'-Hexahydrospiro[benzo[b][1,4]oxazine-2,4'-pyran] (CAS 2126935-75-7)
- (3AR)-hexahydrospiro[indene-2,3'-pyrrolidin]-5(3H)-one (CAS 335458-42-9)
- 1',2,2',3,5,6-Hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine] (CAS 2169552-68-3)
- 1',2,2',3,5,6-Hexahydrospiro[pyran-4,3'-pyrrolo[3,2-c]pyridine] (CAS 2251054-35-8)
- {hexahydrospiro[cyclopropane-1,2'-pyrrolizine]-7'a-yl}methanamine (CAS 1788873-90-4)
Recommended Standards
- 4,4'-Disulfanediyldibenzonitrile (CAS 6339-51-1)
- 4-Methyl-5-(4-(methylsulfonyl)phenyl)thiazol-2-amine (CAS 593959-13-8)
- 4-(Tosylmethyl)thiazol-2-amine (CAS 297743-27-2)
- 4-Methyl-5-[(2-methylphenyl)methanesulfonyl]-1,2,3-thiadiazole (CAS 400087-46-9)
- cis-4-tert-butylCyclohex-1-yl acetate (CAS 10411-92-4)
- (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(3,4-dimethoxybenzyl)propanoic acid (CAS 1260601-40-8)
- 6-Chloro-3-((4-methoxyphenyl)sulfonyl)quinolin-4(1H)-one (CAS 866847-03-2)
- Rivaroxaban Impurity 219 (CAS CATO-C4X-1090219)
- 1-(3,5-Difluorophenyl)-2,2-difluoroethan-1-one (CAS 1352205-87-8)
- 1,5-Dimethyl-1h-pyrazole-4-carbonitrile (CAS 856860-16-7)
- 3-(4-Fluorophenyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 870680-35-6)
- N-Me-D-Phe-OH (CAS 56564-52-4)
- 2-(2-Fluorophenyl)-6-methyl-4H-benzo[d][1,3]oxazin-4-one (CAS 301193-57-7)
- (Glu1)-Fibrinopeptide B (human) (CAS 103213-49-6)
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