N'-(2,4-dimethylphenyl)-N-[N-(2,4-dimethylphenyl)carboximidoyl]-N-methylmethanimidamide

• ChemBase编号: 157853
• 分子式: C19H23N3
• 平均质量: 293.40602
• 单一同位素质量: 293.18919775
• SMILES: Cc1cc(c(cc1)/N=C/N(/C=N/c1c(cc(cc1)C)C)C)C
• Canonical SMILES: CN(/C=N/c1ccc(cc1C)C)/C=N/c1ccc(cc1C)C
• InChI: InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
• InChIKey: QXAITBQSYVNQDR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N'-(2,4-dimethylphenyl)-N-[N-(2,4-dimethylphenyl)carboximidoyl]-N-methylmethanimidamide; (E)-N'-(2,4-dimethylphenyl)-N-[(E,E)-N-(2,4-dimethylphenyl)carboximidoyl]-N-methylmethanimidamide
• IUPAC传统名: bipin; amitraz
• 别名: 双甲脒; Amitraz; N'-(2,4-Dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-methanimidamide; N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine; Acarac; Amigard; Apivar ND; Azaform; BAAM; Ovasyn; Parsec; TCL; Taktic; Triazid; U 36059; Varamit; Amitraz

登记号

• CAS号: 33089-61-1
• EC号: 251-375-4
• MDL号: MFCD00069396
• PubChem SID: 162251989; 24899072; 24868774
• PubChem CID: 36324

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.8933806
• LogD (pH = 7.4): 3.2751746
• Log P: 5.4112015
• 摩尔折射率: 98.0015 cm^3
• 极化性: 35.09664 Å^3
• 极化表面积: 27.96 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Methanol
• 外观: Beige to Pale Yellow Solid
• 熔点: 75-77°C

安全信息

• 保存条件: Amber Vial, Refrigerator, Under Inert Atmosphere
• RTECS编号: ZF0480000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-43-48/22-50/53
• 安全公开号: 22-24-36/37-60-61
• GHS危险品标识: GHS07; GHS08; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H317-H373-H410
• GHS警示性声明: P273-P280-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• 保存温度: -20°C

产品相关信息

• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 250 mg
• Empirical Formula (Hill Notation): C19H23N3

详细说明

Sigma Aldrich - 45323

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - A633320

Amitraz is an antiparasitic used to control red spider mites, leaf miners and scale insects. This compound is active by inhibiting the targets monoaminooxidase enzyme.

参考文献

• Fu, W., et al.: Environ. Toxicol. Chem., 28, 1372 (2009)
• Amoli, J., et al.: Am. J. Food Technol., 4, 56 (2009)
• Kern, S., et al.: Envir. Sci. Technol., 43, 7039 (2009)