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Alphamine red r base

CAS No.:
57322-42-6
Catalog Number:
AG00EB75
Molecular Formula:
C26H19N3O6S2
Molecular Weight:
533.5756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>90.0%(HPLC)
1 week
United States
$484
- +
Product Description
Catalog Number:
AG00EB75
Chemical Name:
Alphamine red r base
CAS Number:
57322-42-6
Molecular Formula:
C26H19N3O6S2
Molecular Weight:
533.5756
MDL Number:
MFCD00135326
IUPAC Name:
3-[(4-anilinonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C26H19N3O6S2/c30-36(31,32)20-11-10-17-15-25(26(37(33,34)35)16-18(17)14-20)29-28-24-13-12-23(21-8-4-5-9-22(21)24)27-19-6-2-1-3-7-19/h1-16,27H,(H,30,31,32)(H,33,34,35)
InChI Key:
BGHIEJHQLIHWPX-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cc2cc(ccc2cc1N=Nc1ccc(c2c1cccc2)Nc1ccccc1)S(=O)(=O)O
Properties
Complexity:
1020  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.072g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
533.573g/mol
Monoisotopic Mass:
533.072g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties