10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium; bis(nitrooxidane)

• ChemBase ID: 104320
• Molecular Formular: C28H22N4O6
• Molecular Mass: 510.49748
• Monoisotopic Mass: 510.15393444
• SMILES: C[n+]1c2ccccc2c(c2ccccc12)c1c2ccccc2[n+](C)c2ccccc12.[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: C[n+]1c2ccccc2c(c2c1cccc2)c1c2ccccc2[n+](c2c1cccc2)C.[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• InChI: InChI=1S/C28H22N2.2NO3/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*2-1(3)4/h3-18H,1-2H3;;/q+2;2*-1
• InChIKey: KNJDBYZZKAZQNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium; bis(nitrooxidane); 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium dinitrate
• IUPAC Traditional name: 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium dinitronate; 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium dinitrate
• Synonyms: N,N'-Dimethyl-9,9'-biacridinium dinitrate; Lucigenin; bis-N-METHYLACRIDINIUM NITRATE; N,N'-DIMETHYLBISACRIDINIUM DINITRATE; 9,9′-Bis(N-methylacridinium nitrate); N,N′-Dimethyl-9,9′-biacridinium dinitrate; Bis-N-methylacridinium nitrate; N,N′-Dimethyl-9,9'-bisacridinium nitrate; Lucigenin; N,N′-Dimethyl-9,9′-biacridinium dinitrate; Bis(N-methylacridinium) nitrate

Database IDs

• CAS Number: 2315-97-1
• EC Number: 219-023-4
• MDL Number: MFCD00011925
• Beilstein Number: 3901768
• PubChem SID: 162093063; 24897210
• PubChem CID: 65099
• Chemspider ID: 58609
• Wikipedia Title: Lucigenin

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.6260989
• LogD (pH = 7.4): -2.6260989
• Log P: -2.6260989
• Molar Refractivity: 124.502 cm^3
• Polarizability: 54.302177 Å^3
• Polar Surface Area: 7.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 245-250 °C (dec.)(lit.); 245-250°C
• Absorption Wavelength: λmax 430 nm; λmax 452 nm (2nd)
• Fluorescence: λex 319 nm; λem 384 nm (pH 9.0); λex 360 nm; λem 449 nm (Reaction product); λex 368 nm; λem 505 nm in H2O; λex 369 nm; λem 505 nm±5 nm in H2O

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (N); 97%
• Grade: for fluorescence; purum p.a.
• Empirical Formula (Hill Notation): C28H22N4O6

DETAILS

MP Biomedicals - 05206665

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155458

(N,N'-Dimethyl-9,9'-biacridinium dinitrate; Lucigenin)

Sigma Aldrich - 39685

Application
Reagent used for the generation of chemiluminescence in the presence of a reductant and oxygen; it is employed in numerous chemiluminescent assays.1,2 Lucigenin is specific for superoxide anion radical.3

Sigma Aldrich - B49203

Packaging
1 g in glass bottle

Sigma Aldrich - M8010

Application
Reagent used for the generation of chemiluminescence in the presence of a reductant and oxygen; it is employed in numerous chemiluminescent assays.1,2 Lucigenin is specific for superoxide anion radical.3
包装
1, 5 g in glass bottle
500 mg in glass bottle