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3179-90-6 | Disperse Blue 7
CAS No: 3179-90-6 Catalog No: AG01FNZ3 MDL No:
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 |
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