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

• ChemBase编号: 104664
• 分子式: C18H20N2O6
• 平均质量: 360.3612
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 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传统名: 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
• 别名: 3,5-二甲氧基-4-羟基苯甲醛连氮; 丁香醛连氮; Syringaldazine; 4-Hydroxy-3,5-dimethoxy-benzaldehyde azine; SYRINGALDAZINE; 4-Hydroxy-3,5-dimethoxybenzaldehyde azine

登记号

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

理论计算性质

• Acid pKa: 8.638383
• 质子受体: 8
• 质子供体: 2
• LogD (pH = 5.5): 2.2021294
• LogD (pH = 7.4): 2.177907
• Log P: 2.2024426
• 摩尔折射率: 97.6128 cm^3
• 极化性: 36.37323 Å^3
• 极化表面积: 102.1 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMF: soluble, slightly hazy
• 熔点: 209-210 °C(lit.)

安全信息

• 保存条件: 2-8°C
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: 99%
• 线性分子式: [HOC6H2(OCH3)2CH=N-]2

详细说明

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

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

参考文献

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