Cryptocyanine O.A.1
Basic information
- CAS
4846-34-8- Standard SMILES
CCN1C=C\C(=C/C=C(\C=C\c2cc[n+](CC)c3ccccc23)c2cc[n+](CC)c3ccccc23)c2ccccc21.[I-].[I-]- InChIKey
RJOBRLLSEIIUFB-UHFFFAOYSA-L- Molecular formula
- C38H37I2N3
- Average molar mass
- 789.5 g/mol
- Monoisotopic mass
- 789.10769
Names & identifiers
- Preferred name
- Cryptocyanine O.A.1
- IUPAC
- 1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
- English name
- NEOCYANINE
- Molecular formula
- C38H37I2N3
- Molecular weight
- 789.53
Names & synonyms
Cryptocyanine O.A.14846-34-8EINECS 225-436-0NSC 36412Quinolinium, 4,4'-(3-((1-ethyl-4(1H)-quinolinylidene)ethylidene)-1-propene-1,3-diyl)bis(1-ethyl-, diiodideDTXSID50889483Quinolinium, 4,4'-[3-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-1-propene-1,3-diyl]bis[1-ethyl-, diiodideRefChem:128601DTXCID401028736NK 4SCHEMBL293766294,4'-(3-((1-Ethyl-4(1H)-quinolylidene)ethylidene)prop-1-ene-1,3-diyl)bis(1-ethylquinolinium) diiodide
Show more names
NEOCYANINEALLOCYANINENeocyanine,99%Bis-4-(1-ethylquinoline)[g-4-(1-ethylquinoline)]pentamethinecyaninediiodide4,4’-[3-[(1-ethyl-4(1h)-quinolinylidene)ethylidene]-1-propene-1,3-quinoliniuBIS-4-(1-ETHYLQUINOLINE)[GAMMA-4'-(1'-ETHYLQUINOLINE)]PENTAMETHINECYANINE DIIODIDE4,4'-[3-[(1-ethyl-4(1H)-quinolylidene)ethylidene]prop-1-ene-1,3-diyl]bis[1-ethylquinolinium] diiodide4,4'-[3-[2-[1-Ethyl-4(1H)-quinolinylidene]ethylidene]-1-propene-1,3-diyl]bis(1-ethylquinolinium)·diiodide
Quinolinium, 4,4'-(3-((1-ethyl-4(1H)-quinolinylidene)ethylidene)-1-propene-1,3-diyl)bis(1-ethyl-, iodide (1:2)
Database identifiers
- CAS
4846-34-8- PubChem CID
- 5489539
- EC Number
- 225-436-0
Properties
Computed structural properties
- Topological polar surface area
- 11 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 921
Physicochemical properties
- Melting point
- 280 °C · 280 °C (decomp)
- Density
- 1.4782 · 1.4782 (estimate)
- storage temp.
- 0 · 0-6°C
- EPA Substance Registry System
- 4 · Quinolinium, 4,4'-[3-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-1-propene-1,3-diyl]bis[1-ethyl-, diiodide (4846-34-8)
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
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
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinolinium, 4,4'-[3-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-1-propene-1,3-diyl]bis[1-ethyl-, iodide (1:2): ACTIVE
Applications
DescriptionNeocyanine is a fluorescent probe.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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