Home Nitriles 4-(Butylamino)-3-nitrobenzonitrile

4-(Butylamino)-3-nitrobenzonitrile

CAS No.:
143193-44-6
Catalog Number:
AG009X43
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG009X43
Chemical Name:
4-(Butylamino)-3-nitrobenzonitrile
CAS Number:
143193-44-6
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD03551827
IUPAC Name:
4-(butylamino)-3-nitrobenzonitrile
InChI:
InChI=1S/C11H13N3O2/c1-2-3-6-13-10-5-4-9(8-12)7-11(10)14(15)16/h4-5,7,13H,2-3,6H2,1H3
InChI Key:
ZTZCOPOIQUGTNK-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties