3,3'-Diethylbenzidine dihydrochloride
Product Information
Molecular Formula
C16H22Cl2N2
Molecular Weight
313.27
Description
3,3'-Diethylbenzidine dihydrochloride has great potential in fighting certain forms of cancer and has been studied in the development of anti-cancer drugs.
Synonyms
4,4'-Diamino-3,3'-diethylbiphenyl Dihydrochloride
IUPAC Name
4-(4-amino-3-ethylphenyl)-2-ethylanilinedihydrochloride
SMILES
CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)CC)N.Cl.Cl
InChI
InChI=1S/C16H20N2.2ClH/c1-3-11-9-13(5-7-15(11)17)14-6-8-16(18)12(4-2)10-14/h5-10H,3-4,17-18H2,1-2H32*1H
InChI Key
DQPPOEIMMLEMPW-UHFFFAOYSA-N
Purity
>97.0%(T)
Appearance
White to Light yellow to Light orange powder to crystal
Safety Information
Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
312.1160041 g/mol
Monoisotopic Mass
312.1160041 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
228
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2019531398-A | Photo-alignment copolymer material | 2016-10-11 |
| KR-20190067847-A | Photo-oriented copolymer material | 2016-10-11 |
| TW-201823317-A | Photoalignment copolymer material | 2016-10-11 |
| WO-2018069071-A1 | Photoaligning copolymer materials | 2016-10-11 |
| EP-3374416-A1 | Photoalignment materials | 2015-11-11 |
| EP-3374467-A1 | Compositions of photo-alignable materials | 2015-11-11 |
| EP-3374467-B1 | Compositions of photo-alignable materials | 2015-11-11 |
| KR-20180082537-A | Photo-alignment material | 2015-11-11 |
| KR-20180082540-A | Composition of photo-alignable material | 2015-11-11 |
| TW-201734094-A | Light alignment material | 2015-11-11 |
