2-N,2-N,7-trimethylphenazine-2,8-diamine hydroiodide

• ChemBase ID: 108448
• Molecular Formular: C15H17IN4
• Molecular Mass: 380.22675
• Monoisotopic Mass: 380.04979456
• SMILES: I.CN(C)c1cc2c(cc1)nc1cc(C)c(N)cc1n2
• Canonical SMILES: CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C.I
• InChI: InChI=1S/C15H16N4.HI/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H
• InChIKey: OUUBVQCTWMYSNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N,7-trimethylphenazine-2,8-diamine hydroiodide
• IUPAC Traditional name: 2-N,2-N,7-trimethylphenazine-2,8-diamine hydroiodide
• Synonyms: NEUTRAL RED IODIDE

Database IDs

• CAS Number: 34038-87-4
• PubChem SID: 162095485
• PubChem CID: 25113507

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7090316
• LogD (pH = 7.4): 2.8506413
• Log P: 2.8527951
• Molar Refractivity: 77.3268 cm^3
• Polarizability: 31.3915 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207400

MP Biomedicals Rare Chemical collection