200,000+ products from a single source!
sales@angenechem.com
85653-98-1 | 2,7-Naphthalenedisulfonicacid, 3-[2-[4-(diethylamino)phenyl]diazenyl]-4,5-dihydroxy-
CAS No: 85653-98-1 Catalog No: AG004THA MDL No:
Product Description
Catalog Number:
AG004THA
Chemical Name:
2,7-Naphthalenedisulfonicacid, 3-[2-[4-(diethylamino)phenyl]diazenyl]-4,5-dihydroxy-
CAS Number:
85653-98-1
Molecular Formula:
C20H21N3O8S2
Molecular Weight:
495.5260
IUPAC Name:
3-[[4-(diethylamino)phenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C20H21N3O8S2/c1-3-23(4-2)14-7-5-13(6-8-14)21-22-19-17(33(29,30)31)10-12-9-15(32(26,27)28)11-16(24)18(12)20(19)25/h5-11,24-25H,3-4H2,1-2H3,(H,26,27,28)(H,29,30,31)
InChI Key:
OTSPYZDKVBQITH-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)CC
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.077g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
495.521g/mol
Monoisotopic Mass:
495.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.