4-{[4-(dimethylamino)phenyl](2H5)benzyl}-N,N-dimethylaniline

• ChemBase编号: 136689
• 分子式: C23H26N2
• 平均质量: 330.46594
• 单一同位素质量: 330.20959884
• SMILES: c1ccc(cc1)C(c1ccc(cc1)N(C)C)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](^2H₅)benzyl}-N,N-dimethylaniline
• IUPAC传统名: 4-{[4-(dimethylamino)phenyl](^2H₅)benzyl}-N,N-dimethylaniline
• 别名: 双-(4-二甲氨基苯基)苯基-d5-甲烷; 隐色孔雀绿-d5; LMG-D5; Bis-(4-dimethylaminophenyl)phenyl-d5-methane; Leucomalachite Green-d5; 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); Leuco Malachite Green-d5

登记号

• CAS号: 947601-82-3; 941601-82-3
• MDL号: MFCD06656251
• PubChem SID: 162230959; 24861000
• PubChem CID: 16212233

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: 41.053944 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

• 质量偏移: M+5

安全信息

• 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
• 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: 97% (CP)
• 级别: analytical standard
• 同位素纯度: 97 atom % D
• 线性分子式: C6D5CH[C6H4N(CH3)2]2

详细说明

Sigma Aldrich - 677663

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - L330302

A labelled metabolite of Malachite Green in seafood products. A labelled 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

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)