Chromoionophore I

Base Information

• Chemical Name: Chromoionophore I
• CAS No.: 125829-24-5
• Molecular Formula: C₃₈H₅₃N₃O₂
• Molecular Weight: 583.858
• DSSTox Substance ID: DTXSID90402892
• Nikkaji Number: J494.150K
• Wikidata: Q82206412
• Mol file: 125829-24-5.mol

Synonyms:Chromoionophore I;N-Octadecanoyl-Nile blue;125829-24-5;N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]octadecanamide;3-Octadecanoylimino-7-(diethylamino)-1,2-benzophenoxazine;Octadecanamide, N-[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]-;ETH 5294;N-Octadecanoyl-NileBlue;eth5294;SCHEMBL599564;SCHEMBL599565;DTXSID90402892;9-(Diethylamino)-5-(octadecanoylimino)-5H-benzo[a]phenoxazine;ETH-5294;Chromoionophore I, Selectophore(TM);MFCD00213935;AKOS037647154;AS-72614;FT-0629464;F87034;J-100225;(Z)-N-(9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene)stearamide;n,n-diethyl-5-(octadecanoylimino)-5h-benzo[a]phenoxazine-9-amine;N-[8-(diethylamino)-12H-10-oxa-5-azatetraphen-12-ylidene]octadecanamide

Chemical Property of Chromoionophore I

Chemical Property:

• Melting Point: 91-93 °C(lit.)
• Refractive Index: 1.565
• Boiling Point: 680.824 °C at 760 mmHg
• Flash Point: 365.549 °C
• PSA: 58.70000
• Density: 1.06 g/cm³
• LogP: 10.62080
• Storage Temp.: 2-8°C
• XLogP3: 12.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 583.41377794
• Heavy Atom Count: 43
• Complexity: 920

Purity/Quality:

98%Min ^*data from raw suppliers

Chromoionophore I Selectophore ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)N=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41
• Uses: This membrane probe has been used as an optode sensor for sodium and other ions. It was used to set up optical dihydrogen phosphate-selective sensors better suited for operation at physiological pH than their ion selective electrode counterparts.

Technology Process of Chromoionophore I

There total 1 articles about Chromoionophore I which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

nile blue A chloride (114567-73-6) + Stearoyl chloride (112-76-5) → ETH 5294 (125829-24-5)

Guidance literature:

With sodium hydroxide; water; Yield given. Multistep reaction; 1a) 65 deg C, 30 min, 2.) CH₂Cl₂, 15 min, RT;

DOI:10.1021/ac00206a018

upstream raw materials:

nile blue A chloride

Stearoyl chloride