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Disperse orange 31

CAT: 0804-HY-D1038Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-D1038Size:1 Each
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Description
Disperse orange 31 is an orange-orange dye commonly used for fiber dyeing.
CAS Number
68391-42-4
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/disperse-orange-31.html
Solubility
10 mM in DMSO
Smiles
N#CCCN(CCOC(C)=O)C1=CC=C(/N=N/C2=CC=C([N+]([O-])=O)C=C2)C=C1
Molecular Formula
C19H19N5O4
Molecular Weight
381.39
References & Citations
[1]Koh J. Dyeing with disperse dyes[J]. Textile dyeing, 2011, 10: 195-220.
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

4-(4-Nitrophenylazo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)aniline
CAS Number68391-42-4
PubChem CID110106
IUPAC Name2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
Molecular FormulaC19H19N5O4
Molecular Weight381.4
XLogP3.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity581
SMILES
CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H19N5O4/c1-15(25)28-14-13-23(12-2-11-20)18-7-3-16(4-8-18)21-22-17-5-9-19(10-6-17)24(26)27/h3-10H,2,12-14H2,1H3
InChIKey
QLRDACXDRLGLOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Nitrophenylazo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)aniline
CAS: 68391-42-4
CID: 110106
Formula: C19H19N5O4
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass381.14370410
Monoisotopic Mass381.14370410
Topological Polar Surface Area124 Ų
Heavy Atom Count28
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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