1-methoxy-5-methylphenazin-5-ium methyl sulfate

• ChemBase ID: 158604
• Molecular Formular: C15H16N2O5S
• Molecular Mass: 336.36294
• Monoisotopic Mass: 336.07799262
• SMILES: C[n+]1c2ccccc2nc2c1cccc2OC.COS(=O)(=O)[O-]
• Canonical SMILES: COS(=O)(=O)[O-].COc1cccc2c1nc1ccccc1[n+]2C
• InChI: InChI=1S/C14H13N2O.CH4O4S/c1-16-11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-2;1-5-6(2,3)4/h3-9H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: MASUWVVNWALEEM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-5-methylphenazin-5-ium methyl sulfate
• IUPAC Traditional name: 1-methoxy-5-methylphenazin-5-ium methyl sulfate(1-)
• Synonyms: 1-Methoxyphenazine methosulfate; 1-Methoxy-5-methylphenazinium methyl sulfate

Database IDs

• CAS Number: 65162-13-2
• EC Number: 265-579-6
• MDL Number: MFCD00040648
• PubChem SID: 162252740
• PubChem CID: 127832

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.7536823
• LogD (pH = 7.4): -1.7536823
• Log P: -1.7536823
• Molar Refractivity: 66.2742 cm^3
• Polarizability: 28.21907 Å^3
• Polar Surface Area: 26.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/38-40
• Safety Statements: 26
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H351
• GHS Precautionary statements: P281-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥95%
• Empirical Formula (Hill Notation): C15H16N2O5S

DETAILS

Sigma Aldrich - M8640

Application
Stable electron-transport mediator between NAD(P)H and tetrazolium dyes.