Home Other Building Blocks 2,5-Dimethyl-1,4-phenylenediamine

2,5-Dimethyl-1,4-phenylenediamine

CAS No.:
6393-01-7
Catalog Number:
AG003B5G
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$75
- +
100g
95%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG003B5G
Chemical Name:
2,5-Dimethyl-1,4-phenylenediamine
CAS Number:
6393-01-7
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD00052675
IUPAC Name:
2,5-dimethylbenzene-1,4-diamine
InChI:
InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3
InChI Key:
BWAPJIHJXDYDPW-UHFFFAOYSA-N
SMILES:
Cc1cc(N)c(cc1N)C
EC Number:
229-003-7
UNII:
RE400VN2B4
Properties
Complexity:
99.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European journal of medicinal chemistry 20110501
A mechanistic investigation into the irreversible protein binding and antigenicity of p-phenylenediamine. Chemical research in toxicology 20090601
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
T cells ignore aniline, a prohapten, but respond to its reactive metabolites generated by phagocytes: possible implications for the pathogenesis of toxic oil syndrome. Chemical research in toxicology 20010401
Properties