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RHODANILE BLUE

CAS No.:
14969-56-3
Catalog Number:
AG003U4K
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003U4K
Chemical Name:
RHODANILE BLUE
CAS Number:
14969-56-3
MDL Number:
MFCD19105661
IUPAC Name:
[6-(diethylamino)-9-[2-[[9-(diethylamino)-6,12-dihydrobenzo[a]phenoxazin-5-ylidene]carbamoyl]phenyl]xanthen-3-ylidene]-diethylazanium;chloride
InChI:
InChI=1S/C48H49N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-29H,7-12,30H2,1-6H3;1H
InChI Key:
GBYXMWRXCOWOPW-UHFFFAOYSA-N
EC Number:
239-040-0
Properties
Complexity:
1590  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
779.36g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
780.41g/mol
Monoisotopic Mass:
779.36g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties