Home Nitriles 3-((3-Nitropyridin-2-yl)amino)propanenitrile

3-((3-Nitropyridin-2-yl)amino)propanenitrile

CAS No.:
223377-06-8
Catalog Number:
AG00J2MY
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J2MY
Chemical Name:
3-((3-Nitropyridin-2-yl)amino)propanenitrile
CAS Number:
223377-06-8
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
MDL Number:
MFCD22575207
IUPAC Name:
3-[(3-nitropyridin-2-yl)amino]propanenitrile
InChI:
InChI=1S/C8H8N4O2/c9-4-2-6-11-8-7(12(13)14)3-1-5-10-8/h1,3,5H,2,6H2,(H,10,11)
InChI Key:
KMGWUGWAZWGZOL-UHFFFAOYSA-N
SMILES:
N#CCCNc1ncccc1[N+](=O)[O-]
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.065g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.178g/mol
Monoisotopic Mass:
192.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties