1,1'-Diethyl-2,2'-cyanine iodide
Basic information
- CAS
63902-24-9- Standard SMILES
CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.[I-]- InChIKey
GMYRVMSXMHEDTL-UHFFFAOYSA-M- Molecular formula
- C23H23IN2
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 454.0906
Overview
1,1'-diethyl-2,2'-cyanine iodide is a 1,1'-diethyl-2,2'-cyanine halide and an organic iodide salt.
Names & identifiers
- Preferred name
- 1,1'-Diethyl-2,2'-cyanine iodide
- IUPAC
- (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline iodide
- English name
- (E)-1-Ethyl-2-((1-ethylquinolin-2(1H)-ylide ne)methyl)quinolin-1-ium iodide
- Molecular formula
- C23H23IN2
- Molecular weight
- 454.36
Names & synonyms
1,1'-Diethyl-2,2'-cyanine iodide977-96-8Pseudoisocyanine iodideDiethylcyanine iodide2,2'-Quinocyanine iodideN,N'-Diethylpseudoisocyanine iodideBRU7LG9LNL1,1'-Diethyl-2,2'-diquinocyanine iodide1,1'-Diethyl-2,2'-quinocyanine iodideNSC-119685CHEBI:37993DTXSID90883627
Show more names
(E)-1-Ethyl-2-((1-ethylquinolin-2(1H)-ylide ne)methyl)quinolin-1-ium iodide
RefChem:1051598DTXCID101023137213-556-6Decynium 22Pseudoisocyanin63902-24-9(E)-1-Ethyl-2-((1-ethylquinolin-2(1H)-ylidene)methyl)quinolin-1-ium iodidedecynium-22
Database identifiers
- CAS
63902-24-9、977-96-8- PubChem CID
- 5484462
- ChEMBL
CHEMBL4129927- ChEBI
CHEBI:37993- UNII
- BRU7LG9LNL
- EC Number
- 213-556-6
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
- FDA UNII
- 7 LG9LNL · BRU7LG9LNL
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H330-H312-H315-H319-H335
- Precautionary statements
- 260 · P260-P264-P280-P302+P352+P312-P304+P340+P310-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H300+H330-H312-H315-H319-H335
- Precautionary statements
- P260-P264-P280-P302+P352+P312-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinolinium, 1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]-, iodide (1:1): ACTIVE
Additional notes
DefinitionChEBI: 1,1'-diethyl-2,2'-cyanine iodide is a 1,1'-diethyl-2,2'-cyanine halide and an organic iodide salt.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…