5-methylphenazin-5-ium methyl sulfate

• ChemBase ID: 102282
• Molecular Formular: C14H14N2O4S
• Molecular Mass: 306.33696
• Monoisotopic Mass: 306.06742794
• SMILES: COS(=O)(=O)[O-].C[n+]1c2ccccc2nc2ccccc12
• Canonical SMILES: C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)[O-]
• InChI: InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: RXGJTUSBYWCRBK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylphenazin-5-ium methyl sulfate
• IUPAC Traditional name: 5-methylphenazin-5-ium monomethyl sulfate; 5-methylphenazin-5-ium methyl sulfate(1-)
• Synonyms: Phenazine methosulfate; 5-Methylphenazinium methyl sulfate; N-Methylphenazonium methyl sulfate; PMS; PHENAZINE METHOSULFATE; N-Methyldibenzylpyrazine methyl sulfate salt; METHYLPHENAZONIUM METHOSULFATE; 5-甲基吩嗪硫酸甲酯; N-甲基吩嗪甲基硫酸盐; 吩嗪硫酸甲酯

Database IDs

• CAS Number: 299-11-6
• EC Number: 206-072-1
• MDL Number: MFCD00011923
• Beilstein Number: 3898869
• PubChem SID: 24899045; 162089979
• PubChem CID: 9285

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.5960132
• LogD (pH = 7.4): -1.596011
• Log P: -1.596011
• Molar Refractivity: 59.811 cm^3
• Polarizability: 25.787004 Å^3
• Polar Surface Area: 16.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.2 g/mL at 20 °C, clear, deep orange
• Melting Point: 155-157°C (dec.); 158-160 °C (dec.)(lit.)
• Absorption Wavelength: λmax 386 nm

Safety Information

• Storage Condition: 2-8°C, Protect from light
• RTECS: SG1645000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥90% (UV); ≥96.0% (N); 98%
• Ignition Residue: ≤0.1%
• Loss on Drying: ≤1% loss on drying
• Linear Formula: C13H11N2 · CH3SO4

DETAILS

MP Biomedicals - 02100955

Yellow crystals
Used in tyrosine transaminase test and for enzymic determination of ethanol in blood by the colorimetric micromethod.

MP Biomedicals - 05216619

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02194595

Cell Culture Reagent
Yellow crystals
Used in tyrosine transaminase test and for enzymic determination of ethanol in blood by the colorimetric micromethod.

Sigma Aldrich - P9625

Application
Used with ascorbic acid to determine nitric oxide reductase activity.
包装
1, 5, 10, 25 g in glass bottle
500 mg in glass bottle

Sigma Aldrich - 68600

Other Notes
Electron acceptor in dye-linked enzyme assays1,2