1-Ethyl-2-(3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl)quinolinium iodide
Basic information
- CAS
20591-23-5- Standard SMILES
CCN1/C(=C/C=Cc2cc[n+](CC)c3ccccc23)C=Cc2ccccc21.[I-]- InChIKey
AIUPVZRNWAATQJ-UHFFFAOYSA-M- Molecular formula
- C25H25IN2
- Average molar mass
- 480.4 g/mol
- Monoisotopic mass
- 480.10625
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1-Ethyl-2-(3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl)quinolinium iodide
- IUPAC
- (2E)-1-ethyl-2-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide
- English name
- DICYANINE A
- Molecular formula
- C31H37IN2O2
- Molecular weight
- 596.54
Names & synonyms
1-Ethyl-2-(3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl)quinolinium iodideQ32697347DICYANINE ADicyanine A,98%Dicyanine A, 98%(20591-23-5)1-ethyl-2-[3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl]quinolinium iodide1-ethyl-2-[3-(1-ethyl-4(1h)-quinolinylidene)-1-propenyl]-quinoliniuiodideQuinolinium, 1-ethyl-2-(3-(1-ethyl-4(1H)-quinolinylidene)-1-propen-1-yl)-, iodide (1:1)6-ETHOXY-2-[3-(6-ETHOXY-1-ETHYL-2-METHYL-4-QUINOLYLIDENE)]PROPENYL-1-ETHYL-4-METHYL-QUINOLINIUM IODIDE
Database identifiers
- CAS
20591-23-5- PubChem CID
- 5484026
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- Density
- 1.2946 · 1.2946 (estimate)
- storage temp.
- 0 · 0-6°C
- EPA Substance Registry System
- 1 · Quinolinium, 1-ethyl-2-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl]-, iodide (20591-23-5)
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HS Code
- 29420000 · 29420000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 29420000
- safety_code
- 24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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