N,N-dimethyl-8H-10-oxa-5-azatetraphen-8-iminium chloride

• ChemBase ID: 104932
• Molecular Formular: C18H15ClN2O
• Molecular Mass: 310.7775
• Monoisotopic Mass: 310.08729079
• SMILES: [Cl-].C[N+](=c1ccc2nc3c4ccccc4ccc3oc2c1)C
• Canonical SMILES: C[N+](=c1ccc2c(c1)oc1c(n2)c2ccccc2cc1)C.[Cl-]
• InChI: InChI=1S/C18H15N2O.ClH/c1-20(2)13-8-9-15-17(11-13)21-16-10-7-12-5-3-4-6-14(12)18(16)19-15;/h3-11H,1-2H3;1H/q+1;/p-1
• InChIKey: HWYNRVXFYFQSID-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-8H-10-oxa-5-azatetraphen-8-iminium chloride
• IUPAC Traditional name: N,N-dimethyl-10-oxa-5-azatetraphen-8-iminium chloride
• Synonyms: C.I. 51175; Meldola's Blue; Phenylene Blue; 9-(Dimethylamino)benzo(a)phenazin-7-ium chloride, compound with zinc chloride; 8-DIMETHYLAMINO-2,3-BENZOPHENOXAZINE HEMI(ZINC CHLORIDE) SALT

Database IDs

• CAS Number: 7057-57-0
• EC Number: 230-338-6
• PubChem SID: 162091781
• PubChem CID: 101929

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2128973
• LogD (pH = 7.4): -0.21289718
• Log P: -0.21289718
• Molar Refractivity: 99.4593 cm^3
• Polarizability: 33.09554 Å^3
• Polar Surface Area: 24.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02157788

C.I. 51175
(Meldola's blue)
Hemi(zinc chloride) Salt