3,6-bis(dimethylamino)-10$l^{4}-xanthen-10-ylium chloride

• ChemBase ID: 106679
• Molecular Formular: C17H19ClN2O
• Molecular Mass: 302.79856
• Monoisotopic Mass: 302.11859092
• SMILES: [Cl-].CN(C)c1ccc2cc3ccc(cc3[o+]c2c1)N(C)C
• Canonical SMILES: CN(c1ccc2c(c1)[o+]c1c(c2)ccc(c1)N(C)C)C.[Cl-]
• InChI: InChI=1S/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1
• InChIKey: INCIMLINXXICKS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-bis(dimethylamino)-10$l^{4}-xanthen-10-ylium chloride
• IUPAC Traditional name: 3,6-bis(dimethylamino)-10$l^{4}-xanthen-10-ylium chloride
• Synonyms: PYRONIN Y

Database IDs

• CAS Number: 92-32-0
• PubChem SID: 162087308
• PubChem CID: 7085

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2313466
• LogD (pH = 7.4): 4.23138
• Log P: 4.2313805
• Molar Refractivity: 85.4712 cm^3
• Polarizability: 33.63048 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 04800506

Molecular Biology Reagent
A marker dye for acid buffer systems which indicates the migrating boundary during electrophoresis.