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4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS:# 148494-98-8
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name4b1,5,10,15-Tetraazanaphthotetraphene-2,3,7,8,12,13-hexaolIUPAC Name 4,12,20,21-tetrahydroxy-8,16,24,25-tetrazahexacyclopentacosa-1,3,6,9,11,14,16,18,20,22-decaene-5,13-dione  Molecular StructureCAS Registry Number 148494-98-8Synonyms4a,14b-Dihydro-4b1,5,10,15-tetraazanaphthotetraphene-2,3,7,8,12,13-hexaol148494-98-8F828414b1,5,10,15-Tetraazanaphthotetraphene-2,3,7,8,12,13-hexaolMolecular FormulaC21H12N4O6Molecular Weight416.3InChIInChI=1S/C21H12N4O6/c26-13-1-7-10(4-16(13)29)22-20-9-3-15(28)18(31)6-12(9)24-21-8-2-14(27)17(30)5-11(8)23-19(7)25(20)21/h1-6,22-23,26-28,30HInChI KeyGPGQPWRGFWZUIF-UHFFFAOYSA-NCanonical SMILESC1=C2C(=CC(=C1O)O)NC3=C4C=C(C(=O)C=C4NC5=C6C=C(C(=O)C=C6N=C2N35)O)O

Physical Data

No data available

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hdimethylsulfoxide-d6400Chemical shifts, Spectrum13Cdimethylsulfoxide-d6Chemical shifts1Htetradeuteriomethanol

4b1,5,10,15-Tetraazanaphthotetraphene-2,3,7,8,12,13-hexaol CAS:# 148494-98-8 NMR

Description (IR Spectroscopy)ATR (attenuated total reflectance), SpectrumBands, Spectrum

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 4b1,5,10,15-Tetraazanaphthotetraphene-2,3,7,8,12,13-hexaol CAS148494-98-8

ConditionsYieldWith potassium hydroxide In dimethyl sulfoxide at 50℃; for 4h;35%

Safety and Hazards

No data available

Other Data

TransportationUnder room temperature away from lightHS CodeStorageUnder room temperature away from lightShelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight416.349logP3.037HBA4HBD6Matching Lipinski Rules3Veber rules componentPolar Surface Area (PSA)161.7Rotatable Bond (RotB)0Matching Veber Rules1

Use Pattern4b1,5,10,15-Tetraazanaphthotetraphene-2,3,7,8,12,13-hexaol CAS:# 148494-98-8 is used in a electronic chemicals.
https://www.chemwhat.com/4b151015-tetraazanaphtho123-ghtetraphene-23781213-hexaol-cas-148494-98-8/

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