200,000+ products from a single source!
sales@angenechem.com
84000-84-0 | 1-(2-((4-((2-Cyano-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)pyridinium thiocyanate
CAS No: 84000-84-0 Catalog No: AG004QIH MDL No:
Product Description
Catalog Number:
AG004QIH
Chemical Name:
1-(2-((4-((2-Cyano-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)pyridinium thiocyanate
CAS Number:
84000-84-0
Molecular Formula:
C23H21N7O2S
Molecular Weight:
459.5235
IUPAC Name:
2-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile;thiocyanate
InChI:
InChI=1S/C22H21N6O2.CHNS/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;2-1-3/h3-13,16H,2,14-15H2,1H3;3H/q+1;/p-1
InChI Key:
CGCYCCVWEHZMEL-UHFFFAOYSA-M
SMILES:
N#Cc1cc(ccc1N=Nc1ccc(cc1)CCNCC[n+]1ccccc1)[N+](=O)[O-].[S-]C#N
EC Number:
281-641-5
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.148g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.528g/mol
Monoisotopic Mass:
459.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.