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

• ChemBase ID: 103506
• Molecular Formular: C21H27Cl4FeN2O
• Molecular Mass: 521.10888
• Monoisotopic Mass: 519.02268671
• SMILES: [Cl-].CCN(CC)c1cc2[o+]c3c(ccc(c3)N(CC)CC)cc2cc1.Cl[Fe](Cl)Cl
• Canonical SMILES: Cl[Fe](Cl)Cl.CCN(c1ccc2c(c1)[o+]c1c(c2)ccc(c1)N(CC)CC)CC.[Cl-]
• InChI: InChI=1S/C21H27N2O.4ClH.Fe/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;;;;;/h9-15H,5-8H2,1-4H3;4*1H;/q+1;;;;;+3/p-4
• InChIKey: SUVPQRYDMCNTPV-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-bis(diethylamino)-10$l^{4}-xanthen-10-ylium trichloroiron chloride; 3,6-bis(diethylamino)-10λ^4-xanthen-10-ylium trichloroiron chloride
• IUPAC Traditional name: 3,6-bis(diethylamino)-10$l^{4}-xanthen-10-ylium ferric chloride chloride; 3,6-bis(diethylamino)-10λ^4-xanthen-10-ylium ferric chloride chloride
• Synonyms: (6-(Diethylamino)-3H-xanten-3-ylidene) diethylammonium chloride; E tetraethylpyronin; PYRONIN B FERRIC CHLORIDE COMPLEX; Pyronin B

Database IDs

• CAS Number: 2150-48-3
• EC Number: 218-429-9
• MDL Number: MFCD03701356
• Beilstein Number: 3846969
• PubChem SID: 162090422; 24852004; 24898803
• PubChem CID: 16211448
• Color Index Number: 45010

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.658368
• LogD (pH = 7.4): 5.6586094
• Log P: 5.6586123
• Molar Refractivity: 104.4656 cm^3
• Polarizability: 41.017735 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 174-176 °C(lit.); 174-176°C
• Absorption Wavelength: λmax 553 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BP6832000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: certified by the Biological Stain Commission
• Compostion: Dye content, ≥30%; Dye content, 40%
• Empirical Formula (Hill Notation): C42H54Cl8Fe2N4O2

DETAILS

MP Biomedicals - 02151996

C.I. 45010
Biological stain for identifying denatured DNA in electrophoresis procedures.

Sigma Aldrich - 201308

Packaging
5, 25 g in glass bottle
Suitability
Certified for use in the methyl green-pyronin method for differential coloration of nucleic acids.

Sigma Aldrich - P6892

包装
25 g in glass bottle