4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline dihydrochloride

• ChemBase ID: 103548
• Molecular Formular: C16H22Cl2N2
• Molecular Mass: 313.26528
• Monoisotopic Mass: 312.11600407
• SMILES: Cl.Cl.Cc1cc(cc(C)c1N)c1cc(C)c(N)c(C)c1
• Canonical SMILES: Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N.Cl.Cl
• InChI: InChI=1S/C16H20N2.2ClH/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h5-8H,17-18H2,1-4H3;2*1H
• InChIKey: NYNRGZULARUZCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline dihydrochloride
• IUPAC Traditional name: tetramethylbenzidine dihydrochloride
• Synonyms: 3,3',5,5'-Tetramethylbenzidine dihydrochloride; 3,3′,5,5′-Tetramethylbenzidine dihydrochloride; TMB dihydrochloride; 3,3',5,5'-TETRAMETHYLBENZIDINE; 3,3',5,5'-TetraMethylbenzidine dihydrochloride; 4,4′-二氨基-3,3′,5,5′-四甲基联苯 二盐酸盐; 3,3′,5,5′-四甲基联苯胺 二盐酸盐

Database IDs

• CAS Number: 64285-73-0
• EC Number: 264-769-6
• MDL Number: MFCD00012961
• PubChem SID: 24900140; 162102880
• PubChem CID: 174033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.980853
• LogD (pH = 7.4): 4.015844
• Log P: 4.016305
• Molar Refractivity: 80.7598 cm^3
• Polarizability: 30.724943 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: tablet
• Melting Point: ≥300 °C; 300°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 36/37/38-40-68
• Safety Statements: 26-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H315-H319-H341-H351-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 99%

DETAILS

MP Biomedicals - 02152116

Dihydrochloride
Purity: 97%
Water soluble form of TMB for determination of peroxidase.

Sigma Aldrich - T3405

Application
3,3′,5,5′-四甲基联苯胺 (TMB) 是一种适用于酶联免疫吸附分析的过氧化物酶底物。底物产生一种可溶性淡蓝色终产物，该产物可通过分光光度法在 370 或 620-650nm 处读取。可用 2M H2SO4 终止 TMB 反应（变成黄色），并在 450nm 处读取数据。

REFERENCES

• Anal. Biochem., 98, 388 (1979).