4-{[4-(dimethylamino)phenyl](phenyl)methyl}-N,N-dimethylaniline

• ChemBase编号: 104234
• 分子式: C23H26N2
• 平均质量: 330.46594
• 单一同位素质量: 330.20959884
• SMILES: CN(C)c1ccc(cc1)C(c1ccccc1)c1ccc(cc1)N(C)C
• Canonical SMILES: CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C
• InChI: InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3
• InChIKey: WZKXBGJNNCGHIC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{[4-(dimethylamino)phenyl](phenyl)methyl}-N,N-dimethylaniline
• IUPAC传统名: 4-{[4-(dimethylamino)phenyl](phenyl)methyl}-N,N-dimethylaniline
• 别名: 孔雀石绿; 隐色孔雀绿; 4,4′-苯亚甲基双(N,N-二甲基苯胺); 4,4'-(Phenylmethylene)bis[N,N-dimethylbenzenamine; 4,4'-Bis(dimethylamino)triphenylmethane; Bis(p-dimethylaminophenyl)phenylmethane; Malachite Green Leuco; NSC 36379; p,p'-Benzylidenebis(N,N-dimethylaniline); 4,4'-Benzylidenebis(N,N-dimethylaniline); Malachite green leuco base; LEUCO MALACHITE GREEN; p,p'-Benzylidenebis-N,N-dimethylaniline; LEUCOMALACHITE GREEN; p,p′-Benzylidenebis-N,N-dimethylaniline; 4,4′-Benzylidenebis(N,N-dimethylaniline); Leucomalachite Green; Leucomalachite Green

登记号

• CAS号: 129-73-7
• EC号: 204-961-9
• MDL号: MFCD00008315
• Beilstein号: 2140506
• 默克索引号: 145699
• PubChem SID: 162091507; 24847677
• PubChem CID: 67215

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.518484
• LogD (pH = 7.4): 5.6993747
• Log P: 5.7019506
• 摩尔折射率: 109.296 cm^3
• 极化性: 41.03093 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Powder
• 熔点: 100-102 °C(lit.); 100-102°C; 100-102°C
• 紫外吸收波长: λmax 623 nm

安全信息

• 保存条件: Room Temperature (15-30°C), Store Under Nitrogen, Protect from light
• 保存注意事项: Air Sensitive
• RTECS编号: CY1203055
• 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: 22-50/53
• 安全公开号: 60-61
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H400
• GHS警示性声明: P273
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

产品相关信息

• 纯度: ≥98.0% (HPLC)
• 级别: analytical standard
• 线性分子式: C6H5CH[C6H4N(CH3)2]2

详细说明

MP Biomedicals - 05214854

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155196

(p,p'-Benzylidenebis-N,N-dimethylaniline) Light green crystals.

Sigma Aldrich - 125660

包装
5, 25 g in glass bottle

Toronto Research Chemicals - L330300

A metabolite of Malachite Green in seafood products. A triphenylmethane dye with fungicidal and limited antiseptic activity. The term Malachine green applies to the oxalate as well as the chloride. Harmful if swallowed. Avoid release to the environment.

参考文献

• Carter, S.G., et al.: J. Biochem. Biophys. Methods, 7, 7 (1982)
• Saikan, S., et al.: J. Chem. Phys., 79, 4154 (1982)
• Clemmensen, S., et al.: Arch. Toxicol., 56, 43 (1982)