Dodci
Basic information
- CAS
14806-50-9- Standard SMILES
CCN1C(=CC=CC=Cc2oc3ccccc3[n+]2CC)Oc2ccccc21.[I-]- InChIKey
CLDZYSUDOQXJOU-UHFFFAOYSA-M- Molecular formula
- C23H23IN2O2
- Average molar mass
- 486.3 g/mol
- Monoisotopic mass
- 486.08043
Overview
See also: 3,3'-Diethyloxadicarbocyanine iodide (preferred).
Names & identifiers
- Preferred name
- Dodci
- IUPAC
- 3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
- English name
- 3,3'-Diethyloxadicarbocyanine iodide
- Molecular formula
- C23H23IN2O2
- Molecular weight
- 486.35
Names & synonyms
DODC IodideDODCIMFCD00011953DODC Iodide; 3-Ethyl-2-[5-(3-ethyl-2-benzoxazolinylidene)-1,3-pentadienyl]benzoxazolium Iodide; 5-(3-Ethylbenzoxazol-2-ylidene)-1-(3-ethylbenzoxazolium-2-yl)-1,3-pentadiene Iodide3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide3-ethyl-2-[5-(3-ethyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium iodideSCHEMBL141681SCHEMBL29993177C23H23IN2O2CLDZYSUDOQXJOU-UHFFFAOYSA-M3,3-Diethyloxadicarbo-cyanine iodide3,3'-Diethyloxadicarbocyanine Iodide, 98%
Show more names
DODCLDIOC2(5)C5-oxacyanine cation3,3’-diethyloxadicarbocyanine3,3-DIETHYLOXADICARBOCYANINE IODIDE3,3'-DiethyloxodicarbocyanineIodide3,3'-Diethyloxadicarbocyanine iodide3,3'-DiethyloxadicarbocyanineIodide>
D6672NS000522503,3'-DIETHYLOXADICARBO-CYANINE IODIDEF9995-0020Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadienyl]-, iodide3-ethyl-2-((1E,3E,5Z)-5-(3-ethylbenzo[d]oxazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]oxazol-3-ium iodide
Database identifiers
- CAS
14806-50-9、64173-98-4- PubChem CID
- 2735005
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Melting point
- 232 °C · 232 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- solubility
- DMF: soluble
- form
- Crystalline Powder
- color
- Blue to purple
- ex/em
- 582 nm; · λex 582 nm; λem 603 nm in EtOH
- λmax
- 582 nm · 582 nm
- Sensitive
- Light Sensitive
- BRN
- 3838937 · 3838937
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
- InChIKey
- CLDZYSUDOQXJOU-UHFFFAOYSA-M
- SMILES
- [I-].CCN1\C(Oc2ccccc12)=C\C=C\C=C\c3oc4ccccc4[n+]3CC
- EPA Substance Registry System
- 3 · Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadienyl]-, iodide (14806-50-9)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 4.13 · 4.13-8-10
- TSCA
- TSCA listed
- HS Code
- 2934.99 · 2934.99.4400
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
- F
- 4.13-8-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2934.99.4400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description3,3'-Diethyloxadicarbocyanine iodide is a sensitive probe used for staining living presynaptic nerve terminals.
Uses3,3''-Diethyloxadicarbocyanine iodide is a sensitive probe.
Additional notes
DefinitionChEBI: The cationic form of a C5 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end.
Suppliers
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Compound notes
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