4-(4-amino-3-methoxyphenyl)-2-methoxyaniline dihydrochloride

• ChemBase ID: 105926
• Molecular Formular: C14H18Cl2N2O2
• Molecular Mass: 317.21092
• Monoisotopic Mass: 316.07453319
• SMILES: Cl.Cl.COc1cc(ccc1N)c1ccc(N)c(OC)c1
• Canonical SMILES: COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl
• InChI: InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H
• InChIKey: UXTIAFYTYOEQHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline dihydrochloride
• IUPAC Traditional name: dianisidine dihydrochloride
• Synonyms: 4,4'-Diamino-3,3'-dimethoxybiphenyl dihydrochloride; o-Dianisidine dihydrochloride; 3,3′-Dimethoxybenzidine dihydrochloride; 3,3′-Dimethoxybenzidine dihydrochloride; Fast Blue B; 3,3'-Dimethoxybenzidine dihydrochloride; C.I. Disperse Black-6-dihydrochloride; 3,3-Dimethoxy-(1,1'-biphenyl)-4,4'-diamine dihydrochloride; o-DIANISIDINE DIHYDROCHLORIDE; o-Dianisidine dihydrochloride; 邻-邻联茴香胺二盐酸; 邻联茴香胺 二盐酸盐; 3,3′-二甲氧基联苯胺 二盐酸盐; 3,3'-二甲氧基联苯胺 二盐酸盐; 固蓝 B; 邻联茴香胺 二盐酸盐

Database IDs

• CAS Number: 20325-40-0
• EC Number: 243-737-5
• MDL Number: MFCD00012488
• Beilstein Number: 3917996
• PubChem SID: 162093868; 24851477; 24894263; 24894894; 24893736
• PubChem CID: 62311

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6003734
• LogD (pH = 7.4): 1.6466603
• Log P: 1.6472768
• Molar Refractivity: 73.5214 cm^3
• Polarizability: 28.605333 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble
• Apperance: tablet
• Melting Point: >285°C (dec.); 268 °C (dec.)(lit.); 268°C dec.
• pH: 2.8-3.2 (25 °C, 1 tablet in 10 ml H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DD1050000
• European Hazard Symbols: Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 45-22; R:22-45
• Safety Statements: 53-45; S:45-53
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H350; H350-H302
• GHS Precautionary statements: P201-P308 + P313; P281-P264-P301+P312-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%
• Concentration: ~10 mg/tablet
• Grade: technical grade
• Linear Formula: [C6H3(OCH3)NH2]2 · 2HCl
• Empirical Formula (Hill Notation): C14H16N2O2 · 2HCl

DETAILS

MP Biomedicals - 02195136

Dihydrochloride
Crystalline, Purified
Water-soluble

Sigma Aldrich - F5803

Application
Used with glucose oxidase-peroxidase (PGO) coupled enzyme system for quantitative determination of glucose.
General description
A preweighed vial containing 50 mg o-Dianisidine.
Specificity
o-Dianisidine (3,3′-dimethoxybenzidine) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is yellow-orange in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 5 M HCl.
Warning
Probably carcinogenic.

Sigma Aldrich - D9154

Reconstitution
Dissolve one tablet in 60 ml of 50 mM phosphate-citrate buffer, pH 5.0. Add 12 μl of fresh 30% hydrogen peroxide immediately before to use.
Specificity
o-Dianisidine (3,3′-dimethoxybenzidine) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is yellow-orange in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 5 M HCl.
Warning
Probably carcinogenic.

Sigma Aldrich - 33435

Other Notes
Specific indication of hemproteins in polyacrylamide gels1
Specificity
o-Dianisidine (3,3′-dimethoxybenzidine) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is yellow-orange in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 5 M HCl.
Warning
Probably carcinogenic.

Sigma Aldrich - D3252

包装
5, 25, 100 g in poly bottle
Specificity
o-Dianisidine (3,3′-dimethoxybenzidine) is a peroxidase substrate suitable for use in ELISA procedures. This substrate produces a soluble end product that is yellow-orange in color and can be read spectrophotometrically at 405 nm. The reaction may be stopped with 5 M HCl.
Warning
Probably carcinogenic.
Physical form
crystalline

Sigma Aldrich - 191248

Packaging
25 g in poly bottle