N-[(5E)-9-(Diethylamino)-5H-Benzo[a]Phenoxazin-5-Ylidene]Octadecanamide
[CAS# 125829-24-5]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Common analytical reagents
• Name: N-[(5E)-9-(Diethylamino)-5H-Benzo[a]Phenoxazin-5-Ylidene]Octadecanamide
• Synonyms: 3-Octadecanoylimino-7-(diethylamino)-1,2-benzophenoxazine; 9-(Diethylamino)-5-(octadecanoylimino)-5H-benzo[a]phenoxazine; Chromoionophore I
• Molecular Formula: C₃₈H₅₃N₃O₂
• Molecular Weight: 583.85
• CAS Registry Number: 125829-24-5
• SMILES: CCCCCCCCCCCCCCCCCC(=O)/N=C/1\C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41
• InChI: 1S/C38H53N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-37(42)39-34-29-36-38(32-24-22-21-23-31(32)34)40-33-27-26-30(28-35(33)43-36)41(5-2)6-3/h21-24,26-29H,4-20,25H2,1-3H3/b39-34+
• InChIKey: MYWBZQJIXVRCJC-JQJRJOTLSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 680.8±65.0°C at 760 mmHg (Cal.)
• Flash point: 365.5±34.3°C (Cal.)
• Refractive index: 1.565 (Cal.)

References

• (1): Valeriya Bychkova, Alexey Shvarev, Jian Zhou, Marcos Pita and Evgeny Katz. Enzyme logic gate associated with a single responsive microparticle: scaling biocomputing to microsize systems, Chem. Commun., 2010, 46, 94.