N-ethyl-N-{2-[1-(2-methylpropoxy)ethoxy]ethyl}-4-(2-phenyldiazen-1-yl)aniline

• ChemBase ID: 129579
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: N(=N\c1ccc(N(CCOC(OCC(C)C)C)CC)cc1)/c1ccccc1
• Canonical SMILES: CCN(c1ccc(cc1)/N=N/c1ccccc1)CCOC(OCC(C)C)C
• InChI: InChI=1S/C22H31N3O2/c1-5-25(15-16-26-19(4)27-17-18(2)3)22-13-11-21(12-14-22)24-23-20-9-7-6-8-10-20/h6-14,18-19H,5,15-17H2,1-4H3
• InChIKey: BATVZJPOLFSGTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{2-[1-(2-methylpropoxy)ethoxy]ethyl}-4-(2-phenyldiazen-1-yl)aniline
• IUPAC Traditional name: solvent yellow 124
• Synonyms: SY124; Sudan 455; Somalia Yellow; T10 Yellow LBN; C.I. 111155; Solvent Yellow 124; N-Ethyl-N-[2-(1-isobutoxyethoxy)ethyl]-p-(phenylazo)aniline; Solvent Yellow 124; N-乙基-N-[2-(1-异丁氧基乙氧基)乙基]-对-(苯偶氮基)苯胺; 溶剂黄 124

Database IDs

• CAS Number: 34432-92-3
• EC Number: 252-021-1
• PubChem SID: 162223869
• PubChem CID: 118170
• Chemspider ID: 105606
• Wikipedia Title: Solvent_Yellow_124

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.3336205
• LogD (pH = 7.4): 6.333973
• Log P: 6.333977
• Molar Refractivity: 115.0372 cm^3
• Polarizability: 42.507603 Å^3
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H413
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC)
• Grade: analytical standard, for environmental analysis
• Empirical Formula (Hill Notation): C22H31N3O2