4-[(1E)-[(E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]methyl]-2,6-dimethoxyphenol

• ChemBase ID: 104664
• Molecular Formular: C18H20N2O6
• Molecular Mass: 360.3612
• Monoisotopic Mass: 360.13213637
• SMILES: COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
• Canonical SMILES: COc1cc(/C=N/N=C/c2cc(OC)c(c(c2)OC)O)cc(c1O)OC
• InChI: InChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3
• InChIKey: YARKTHNUMGKMGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1E)-[(E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]methyl]-2,6-dimethoxyphenol; 4-({2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene}methyl)-2,6-dimethoxyphenol
• IUPAC Traditional name: 4-[(1E)-[(E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]methyl]-2,6-dimethoxyphenol; 4-({2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazin-1-ylidene}methyl)-2,6-dimethoxyphenol
• Synonyms: Syringaldazine; 4-Hydroxy-3,5-dimethoxy-benzaldehyde azine; SYRINGALDAZINE; 4-Hydroxy-3,5-dimethoxybenzaldehyde azine; 3,5-二甲氧基-4-羟基苯甲醛连氮; 丁香醛连氮

Database IDs

• CAS Number: 14414-32-5
• EC Number: 238-390-1
• MDL Number: MFCD00008363
• PubChem SID: 162091709; 24899766; 24901975
• PubChem CID: 5379425
• FEMA ID: 4049

CALCULATED PROPERTIES

• Acid pKa: 8.638383
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): 2.2021294
• LogD (pH = 7.4): 2.177907
• Log P: 2.2024426
• Molar Refractivity: 97.6128 cm^3
• Polarizability: 36.37323 Å^3
• Polar Surface Area: 102.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF: soluble, slightly hazy
• Melting Point: 209-210 °C(lit.)

Safety Information

• Storage Condition: 2-8°C
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%
• Linear Formula: [HOC6H2(OCH3)2CH=N-]2

DETAILS

MP Biomedicals - 02156734

Reagent for detection of both lactase and peroxidase.

Sigma Aldrich - S7896

Application
Reported to be a reagent for the detection of laccase and peroxidase.

Sigma Aldrich - 177539

Packaging
1 g in glass bottle
Application
Reducing agent used in peroxidase1,2 and laccase1,3 activity studies.

REFERENCES

• Science , 180 : 296, (1973).
• Experimentia , 29 : 381, (1973).