Basic information
- CAS
14187-31-6- Standard SMILES
CCN1C(=CC=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.[I-]- InChIKey
ZFYDGPJXMYCXNV-UHFFFAOYSA-M- Molecular formula
- C27H27IN2
- Average molar mass
- 506.4 g/mol
- Monoisotopic mass
- 506.1219
Overview
See also: 1,1'-Diethyl-2,2'-dicarbocyanine iodide (preferred).
Names & identifiers
- Preferred name
- 1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide
- IUPAC
- 1-ethyl-2-[5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline iodide
- English name
- 1,1'-Diethyl-2,2'-dicarbocyanine iodide
- Molecular formula
- C27H27IN2
- Molecular weight
- 506.42
Names & synonyms
1-Ethyl-2-(5-(1-ethylquinolin-2(1H)-ylidene)penta-1,3-dien-1-yl)quinolin-1-ium iodide1-Ethyl-2-[5-(1-ethylquinolin-2(1H)-ylidene)penta-1,3-dien-1-yl]quinolin-1-ium iodide1,1 inverted exclamation marka-Diethyl-2,2 inverted exclamation marka-dicarbocyanine iodide1-ethyl-2-[5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline;iodideSCHEMBL6560455C27H27IN2ZFYDGPJXMYCXNV-UHFFFAOYSA-MPAA18731MFCD000419981,1?-Diethyl-2,2?-dicarbocyanine iodideNS000518661,1-DIETHYL-2,2-DICARBOCYANINE IODIDE
Show more names
1,1'-Diethyl-2,2'-dicarbocyanine iodide1,1'-Diethyl-2,2'-dicarbocyanine iodide1,1'-Diethyl-2,2'-dicarbocyanine iodide,99%1,1''-DIETHYL-2,2''-DICARBOCYANINE IODIDE 99%1,1''-Diethyl-2,2''-quinodicarbocyanine iodide1-ethyl-2-[5-(1-ethyl-2(1h)-quinolinylidene)-1,3-pentadienyl]-quinoliniuio1-ethyl-2-[5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl]quinolinium iodide1-Ethyl-2-[5-(1-ethylquinoline-2(1H)-ylidene)-1,3-pentadienyl]quinoline-1-ium·iodide1-Ethyl-2-[5-(1-ethyl-1,2-dihydroquinoline-2-ylidene)-1,3-pentadienyl]quinolinium·iodideQuinolinium, 1-ethyl-2-(5-(1-ethyl-2(1H)-quinolinylidene)-1,3-pentadien-1-yl)-, iodide (1:1)
1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide1-ethyl-2-[5-(1-ethyl-2(1h)-quinolinylidene)-1,3-pentadienyl]-quinoliniuio;1,1-DIETHYL-2,2-DICARBOCYANINE IODIDE;1-ethyl-2-[5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl]quinolinium iodide;1,1-Diethyl-2,2-quinodicarbocyanine iodide;1,1-DIETHYL-2,2-DICAR
Database identifiers
- CAS
14187-31-6- PubChem CID
- 84246
- DTXSID
DTXSID10884732
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Melting point
- 263 · 263-265 °C(lit.)
- Density
- 1.3509 · 1.3509 (estimate)
- form
- powder
- λmax
- 707 nm · 707 nm
- InChI
- 1S/C27H27N2.HI/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1
- InChIKey
- ZFYDGPJXMYCXNV-UHFFFAOYSA-M
- SMILES
- [I-].CCN1\C(=C\C=C\C=C\c2ccc3ccccc3[n+]2CC)C=Cc4ccccc14
- EPA Substance Registry System
- 1 · Quinolinium, 1-ethyl-2-[5-(1-ethyl-2(1H)-quinolinylidene)-1,3-pentadienyl]-, iodide (14187-31-6)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 24 · 24/25-36-26
- RIDADR
- 2811 · UN 2811 6.1/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Suppliers17 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
Aladdin Scientific[email protected]
重庆博涛生物科技有限公司15223382610 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海研纷生化科技有限公司17721070236 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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