2-methoxyphenazin-1-amine

• ChemBase ID: 231825
• Molecular Formular: C13H11N3O
• Molecular Mass: 225.24594
• Monoisotopic Mass: 225.09021199
• SMILES: c12nc3c(nc2ccc(c1N)OC)cccc3
• Canonical SMILES: COc1ccc2c(c1N)nc1c(n2)cccc1
• InChI: InChI=1S/C13H11N3O/c1-17-11-7-6-10-13(12(11)14)16-9-5-3-2-4-8(9)15-10/h2-7H,14H2,1H3
• InChIKey: NXMHFOGBPMFZHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyphenazin-1-amine
• IUPAC Traditional name: 2-methoxyphenazin-1-amine
• Synonyms: 2-Methoxy-phenazin-1-ylamine

Database IDs

• CAS Number: 3224-52-0
• MDL Number: MFCD01646526
• PubChem SID: 164287735
• PubChem CID: 610995

CALCULATED PROPERTIES

• Acid pKa: 16.332468
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0584161
• LogD (pH = 7.4): 2.0734632
• Log P: 2.0736585
• Molar Refractivity: 64.3202 cm^3
• Polarizability: 27.30068 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.141

Product Information

• Purity: 95%