2-[(1e,3e)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indoliumiodide CAS 53213-98-2

Purity 97%+In StockPharmaceutical Standards
CAS No.53213-98-2
Molecular FormulaC31H39N2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[(1e,3e)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indoliumiodide CAS 53213-98-2 chemical structure

Description

The occurrence of 2-[(1e,3e)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indoliumiodide is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-[(1e,3e)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indoliumiodide (CAS 53213-98-2), molecular formula C31H39N2I and molecular weight 566.57 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-[(1e,3e)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indoliumiodide (C31H39N2I) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 566.57 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), 2-[(1e,3e)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indoliumiodide 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 FormulaC31H39N2 I
Molecular Weight566.57 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Halogen ContentI-containing
Nitrogen Atoms2

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