N,N-diethyl-12-[(2-octyldecyl)imino]-12H-10-oxa-5-azatetraphen-8-amine

• ChemBase ID: 158363
• Molecular Formular: C38H55N3O
• Molecular Mass: 569.8628
• Monoisotopic Mass: 569.4345134
• SMILES: CCCCCCCCC(CCCCCCCC)C/N=c/1\cc2oc3cc(ccc3nc2c2c1cccc2)N(CC)CC
• Canonical SMILES: CCCCCCCCC(C/N=c/1\cc2oc3cc(ccc3nc2c2c1cccc2)N(CC)CC)CCCCCCCC
• InChI: InChI=1S/C38H55N3O/c1-5-9-11-13-15-17-21-30(22-18-16-14-12-10-6-2)29-39-35-28-37-38(33-24-20-19-23-32(33)35)40-34-26-25-31(27-36(34)42-37)41(7-3)8-4/h19-20,23-28,30H,5-18,21-22,29H2,1-4H3
• InChIKey: ICVAQSQRYBGWQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-12-[(2-octyldecyl)imino]-12H-10-oxa-5-azatetraphen-8-amine
• IUPAC Traditional name: N,N-diethyl-12-[(2-octyldecyl)imino]-10-oxa-5-azatetraphen-8-amine
• Synonyms: ETH 5350; 9-(Diethylamino)-5-[(2-octyldecyl)imino]benzo[a]phenoxazine; Chromoionophore III; 9-(二乙胺基)-5-[(2-辛癸基)亚氨基]苯并[a]吩噁嗪; 生色离子载体 III

Database IDs

• CAS Number: 149683-18-1
• MDL Number: MFCD00213937
• Beilstein Number: 5462368
• PubChem SID: 24856410; 162252499
• PubChem CID: 4403213

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 8.1619005
• LogD (pH = 7.4): 9.10341
• Log P: 11.538554
• Molar Refractivity: 184.1359 cm^3
• Polarizability: 69.414795 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: Selectophore™
• Empirical Formula (Hill Notation): C38H55N3O

DETAILS

Sigma Aldrich - 27088

Application
Assay of Na+ activity with solvent polymeric optode membrane prepared from ETH 5350 and sodium ionophore V; Assay of ammonia with solvent polymeric optode membranes based on ETH 5350 and valinomycin (potassium ionophore I)
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH