Home > Compound List > Compound details
20325-40-0 molecular structure
click picture or here to close

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

ChemBase ID: 105926
Molecular Formular: C14H18Cl2N2O2
Molecular Mass: 317.21092
Monoisotopic Mass: 316.07453319
SMILES and InChIs

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

Cite this record

CBID:105926 http://www.chembase.cn/molecule-105926.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
20325-40-0
EC Number
243-737-5
MDL Number
MFCD00012488
Beilstein Number
3917996
PubChem SID
162093868
24851477
24893736
24894263
24894894
PubChem CID
62311

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6003734  LogD (pH = 7.4) 1.6466603 
Log P 1.6472768  Molar Refractivity 73.5214 cm3
Polarizability 28.605333 Å3 Polar Surface Area 70.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble expand Show data source
Apperance
tablet expand Show data source
Melting Point
>285°C (dec.) expand Show data source
268 °C (dec.)(lit.) expand Show data source
268°C dec. expand Show data source
pH
2.8-3.2 (25 °C, 1 tablet in 10 ml H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
DD1050000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
45-22 expand Show data source
R:22-45 expand Show data source
Safety Statements
53-45 expand Show data source
S:45-53 expand Show data source
EU Classification
M7 expand Show data source
EU Hazard Identification Number
13 expand Show data source
Emergency Response Guidebook(ERG) Number
171 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H350 expand Show data source
H350-H302 expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
P281-P264-P301+P312-P308+P313-P405-P501A expand Show data source
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 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
99% expand Show data source
Concentration
~10 mg/tablet expand Show data source
Grade
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
[C6H3(OCH3)NH2]2 · 2HCl expand Show data source
Empirical Formula (Hill Notation)
C14H16N2O2 · 2HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02195136 external link
Dihydrochloride
Crystalline, Purified
Water-soluble
Sigma Aldrich - F5803 external link
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 external link
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 external link
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 external link
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 external link
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle