65087 <common-name>Nile blue</common-name> <description>Nile blue belongs to the phenoxazines, a subclass of benzoxazines within the organic compounds. This organoheterocyclic compound has the formula C20H19N3O1 and an average molecular weight of 318.40 g/mol.</description> <cas nil="true"/> <pubchem-id>16939</pubchem-id> <chemical-formula>C20H19N3O1</chemical-formula> <weight>318.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T03:39:19Z</created-at> <updated-at type="dateTime">2026-08-29T20:50:26Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC</moldb-smiles> <moldb-formula>C20H19N3O1</moldb-formula> <moldb-inchi>InChI=1S/C20H19N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-12,21H,3-4H2,1-2H3/p+1</moldb-inchi> <moldb-inchikey>YQSIDWSTCJNDPD-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">317.152812</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM060980</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00017430</susdat-id> <iupac>[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzoxazines</klass> <subklass>Phenoxazines</subklass> <paper-count type="integer">2995</paper-count> <sync-id>CED0005521</sync-id> <structure-inchikey>YQSIDWSTCJNDPD-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>800000000040000000000000000000000000000000004000000203000100010000000000002000000000008000000000000000000000000000000000000000000000000002000000800200000000000000000000001000000100000000000000000000100000000200000000000000000800000000004000000040010000800000000000000000001000000100000000000000001000000000000000400000042000080000000800000000004000000000000000000000000000040000000804000000000000000000000002000800000200000000000000800000000001000040000000080000000000001000000000000000000000</structure-fingerprint> 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