5,10-dimethyl-5,10-dihydrophenazine

• ChemBase ID: 150246
• Molecular Formular: C14H14N2
• Molecular Mass: 210.27436
• Monoisotopic Mass: 210.11569846
• SMILES: Cn1c2ccccc2n(c2c1cccc2)C
• Canonical SMILES: Cn1c2ccccc2n(c2c1cccc2)C
• InChI: InChI=1S/C14H14N2/c1-15-11-7-3-5-9-13(11)16(2)14-10-6-4-8-12(14)15/h3-10H,1-2H3
• InChIKey: GVTGSIMRZRYNEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,10-dimethyl-5,10-dihydrophenazine
• IUPAC Traditional name: 5,10-dimethylphenazine
• Synonyms: 5,10-Dihydro-5,10-dimethylphenazine; 5,10-二氢-5,10-二甲基吩嗪

Database IDs

• CAS Number: 15546-75-5
• MDL Number: MFCD00092904
• PubChem SID: 162244407; 24864635
• PubChem CID: 288679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3272035
• LogD (pH = 7.4): 3.3272038
• Log P: 3.3272038
• Molar Refractivity: 66.7658 cm^3
• Polarizability: 25.18873 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-152 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25-36/37/38
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H14N2

DETAILS

Sigma Aldrich - 395013

Packaging
500 mg in glass bottle