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68227-58-7 | M-[[4-[[4-[(2-CYANOETHYL)ETHYLAMINO]PHENYL]AZO]-3-METHOXYPHENYL]AZO]BENZENESULPHONIC ACID
CAS No: 68227-58-7 Catalog No: AG005LP1 MDL No:
Product Description
Catalog Number:
AG005LP1
Chemical Name:
M-[[4-[[4-[(2-CYANOETHYL)ETHYLAMINO]PHENYL]AZO]-3-METHOXYPHENYL]AZO]BENZENESULPHONIC ACID
CAS Number:
68227-58-7
Molecular Formula:
C24H24N6O4S
Molecular Weight:
492.5502
IUPAC Name:
3-[[4-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-3-methoxyphenyl]diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C24H24N6O4S/c1-3-30(15-5-14-25)21-11-8-18(9-12-21)26-29-23-13-10-20(17-24(23)34-2)28-27-19-6-4-7-22(16-19)35(31,32)33/h4,6-13,16-17H,3,5,15H2,1-2H3,(H,31,32,33)
InChI Key:
PKEUXPOEUNBWMH-UHFFFAOYSA-N
SMILES:
N#CCCN(c1ccc(cc1)N=Nc1ccc(cc1OC)N=Nc1cccc(c1)S(=O)(=O)O)CC
EC Number:
269-371-6
Properties
Complexity:
859
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.158g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
492.554g/mol
Monoisotopic Mass:
492.158g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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