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Disperse Blue 7

CAS No.:
3179-90-6
Catalog Number:
AG01FNZ3
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01FNZ3
Chemical Name:
Disperse Blue 7
CAS Number:
3179-90-6
IUPAC Name:
1,4-dihydroxy-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
InChI:
InChI=1S/C18H18N2O6/c21-7-5-19-9-1-2-10(20-6-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,19-24H,5-8H2
InChI Key:
WHPNHQRWWMLKPJ-UHFFFAOYSA-N
EC Number:
221-666-0
UNII:
77Q1DI38FQ
NSC Number:
227207
Properties
Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.116g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
358.35g/mol
Monoisotopic Mass:
358.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Allergic contact dermatitis to the hair dye 6-methoxy-2-methylamino-3-aminopyridine HCl (INCI HC Blue no. 7) without cross-sensitivity to PPD. Contact dermatitis 20090401
Final report on the safety assessment of disperse Blue 7. International journal of toxicology 20070101
Properties