6-(1,1,2-Trimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)hexanoic acid CAS 171429-39-3
| CAS No. | 171429-39-3 |
| Molecular Formula | C21H26NO2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-(1,1,2-Trimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)hexanoic acid (CAS 171429-39-3) is a high-purity analytical reference standard with the molecular formula C21H26NO2Br and a molecular weight of 404.35 g/mol.
Structurally, 6-(1,1,2-Trimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)hexanoic acid (C21H26NO2Br) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. 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 404.35 g/mol, it falls into the moderately-high-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.
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), 6-(1,1,2-Trimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)hexanoic acid 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 | C21H26NO2 Br |
| Molecular Weight | 404.35 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2005 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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