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Home Nitriles 3-Amino-4-(phenylamino)benzonitrile

3-Amino-4-(phenylamino)benzonitrile

CAS No.:
68765-52-6
Catalog Number:
AG0061D1
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$250
- +
5g
96%
In Stock USA
United States
$738
- +
Product Description
Catalog Number:
AG0061D1
Chemical Name:
3-Amino-4-(phenylamino)benzonitrile
CAS Number:
68765-52-6
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
MDL Number:
MFCD02376089
IUPAC Name:
3-amino-4-anilinobenzonitrile
InChI:
InChI=1S/C13H11N3/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-8,16H,15H2
InChI Key:
IQOJDSWWUHQSEO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)Nc1ccccc1
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties