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3-Methoxydiphenylamine

CAS No.:
101-16-6
Catalog Number:
AG0003EW
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG0003EW
Chemical Name:
3-Methoxydiphenylamine
CAS Number:
101-16-6
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD00008383
IUPAC Name:
3-methoxy-N-phenylaniline
InChI:
InChI=1S/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3
InChI Key:
MKASXAGBWHIGCF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Nc1ccccc1
EC Number:
202-921-5
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties