Basic information
- CAS
2402-42-8- Standard SMILES
CCN1C(=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.[Cl-]- InChIKey
MHQOURYMHSSLDM-UHFFFAOYSA-M- Molecular formula
- C23H23ClN2
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.1549764
Overview
See also: Pseudoisocyanine chloride (preferred).
Names & identifiers
- Preferred name
- 1-Ethyl-2-[(1-ethylquinolin-2(1H)-ylidene)methyl]quinolin-1-ium chloride
- IUPAC
- 1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline chloride
- English name
- 1-ethyl-2-((1-ethyl-1,2-dihydro-2-quinolylidene)methyl)quinolinium chloride
- Molecular formula
- C23H23ClN2
- Molecular weight
- 362.89512
Names & synonyms
SCHEMBL4107666MHQOURYMHSSLDM-UHFFFAOYSA-MHMS3311D01NS000829371-Ethyl-2-[(1-ethylquinolin-2(1H)-ylidene)methyl]quinolin-1-ium chlorideNsc97374Diethylcyanine2,2'-Cyanine chloridePseudoisocyanine chloride2,2'-Quinocyanine chloride1,1'-Diethyl-2,2'-cyanine chlorideN,N'-Diethylpseudoisocyanine chloride
Show more names
2-[1-Ethylquinoline-2(1H)-ylidenemethyl]-1-ethylquinolinium·chloride1-Ethyl-2-[1(2H)-ethylquinoline-2-ylidenemethyl]quinolinium·chloride1-ETHYL-2-((1-ETHYL-2(1H)-QUINOLINYLIDENE)METHYL)QUINOLINIUM CHLORIDE
Database identifiers
- CAS
2402-42-8- PubChem CID
- 75462
- DTXSID
DTXSID00883714
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 215 °C · 215 °C
- FDA UNII
- 7 AVJ43D · VXJ7AVJ43D
- EPA Substance Registry System
- 1 · Quinolinium, 1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]-, chloride (2402-42-8)
- 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
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: 1,1'-diethyl-2,2'-cyanine chloride is a 1,1'-diethyl-2,2'-cyanine halide and an organic chloride salt.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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