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Disperse Blue 60

CAT: 0931-T86237-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T86237-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
12217-80-0
Target
Others
Related Pathways
Others
Bioactivity
Disperse Blue 60 is an anthraquinone dye used in the textile industry [1].
Smiles
NC1=C2C(=C(N)C3=C1C(=O)N(CCCOC)C3=O)C(=O)C=4C(C2=O)=CC=CC4
Molecular Formula
C20H17N3O5
Molecular Weight
379.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Disperse Blue 60
CAS Number12217-80-0
PubChem CID25530
IUPAC Name4,11-diamino-2-(3-methoxypropyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Molecular FormulaC20H17N3O5
Molecular Weight379.4
XLogP1.8
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity656
SMILES
COCCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H17N3O5/c1-28-8-4-7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-2-3-6-10(9)18(12)25/h2-3,5-6H,4,7-8,21-22H2,1H3
InChIKey
WBCXRDHKXHADQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disperse Blue 60
CAS: 12217-80-0
CID: 25530
Formula: C20H17N3O5
MW: 379.4
Interactive 3D Structure
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View on PubChemRaw 3D data

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