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

3-Amino-4-(benzylamino)benzonitrile

CAS No.:
68502-23-8
Catalog Number:
AG00FGY3
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00FGY3
Chemical Name:
3-Amino-4-(benzylamino)benzonitrile
CAS Number:
68502-23-8
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
MDL Number:
MFCD12424799
IUPAC Name:
3-amino-4-(benzylamino)benzonitrile
InChI:
InChI=1S/C14H13N3/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-8,17H,10,16H2
InChI Key:
CPCGEBXSWQSQGA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)NCc1ccccc1
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties