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15141-18-1 | Ethanol, 2-[ethyl[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]amino]-, 1-acetate
CAS No: 15141-18-1 Catalog No: AG001NBK MDL No:
Product Description
Catalog Number:
AG001NBK
Chemical Name:
Ethanol, 2-[ethyl[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]amino]-, 1-acetate
CAS Number:
15141-18-1
Molecular Formula:
C16H19N5O4S
Molecular Weight:
377.4182
IUPAC Name:
2-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethyl acetate
InChI:
InChI=1S/C16H19N5O4S/c1-4-20(7-8-25-12(3)22)13-5-6-14(11(2)9-13)18-19-16-17-10-15(26-16)21(23)24/h5-6,9-10H,4,7-8H2,1-3H3
InChI Key:
HMAJVAFLGGPIPN-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)C)N=Nc1ncc(s1)[N+](=O)[O-])CCOC(=O)C
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.419g/mol
Monoisotopic Mass:
377.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Assessment of the sensitizing potential of textile disperse dyes and some of their metabolites by the loose-fit coculture-based sensitization assay (LCSA). | Archives of toxicology 20120501 |
| A case of textile dermatitis due to disperse blue on the surgical wound. | Human & experimental toxicology 20120101 |
| Contact sensitization in very young children. | Journal of the American Academy of Dermatology 20111001 |
| Textile allergy--the Melbourne experience. | Contact dermatitis 20110701 |
| Allergic contact sensitivity in elderly patients. | Aging clinical and experimental research 20040601 |
| Contact allergy to Disperse Blue 106 and Disperse Blue 124 in German and Austrian patients, 1995 to 1999. | Contact dermatitis 20010301 |
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