5-ethylphenazin-5-ium ethyl sulfate

• ChemBase ID: 102283
• Molecular Formular: C16H18N2O4S
• Molecular Mass: 334.39012
• Monoisotopic Mass: 334.09872807
• SMILES: CCOS(=O)(=O)[O-].CC[n+]1c2ccccc2nc2ccccc12
• Canonical SMILES: CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)[O-]
• InChI: InChI=1S/C14H13N2.C2H6O4S/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16;1-2-6-7(3,4)5/h3-10H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
• InChIKey: VDJKJPMLWJWQIH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylphenazin-5-ium ethyl sulfate
• IUPAC Traditional name: 5-ethylphenazin-5-ium ethyl sulfate
• Synonyms: N-Ethyldibenzopyrazine ethyl sulfate salt; PHENAZINE ETHOSULFATE; Phenazine ethosulfate

Database IDs

• CAS Number: 10510-77-7
• EC Number: 234-044-9
• MDL Number: MFCD00050286
• PubChem SID: 162089271
• PubChem CID: 82688

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.2392049
• LogD (pH = 7.4): -1.2392031
• Log P: -1.239203
• Molar Refractivity: 64.5596 cm^3
• Polarizability: 27.630892 Å^3
• Polar Surface Area: 16.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• RTECS: SG1635000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

Product Information

• Purity: ~95%; ≥92.5%

DETAILS

MP Biomedicals - 02100956

Yellow crystals
Purity: ~95%