1,10-phenanthroline-5,6-diamine

• ChemBase ID: 294562
• Molecular Formular: C12H10N4
• Molecular Mass: 210.2346
• Monoisotopic Mass: 210.09054634
• SMILES: Nc1c(N)c2c(nccc2)c2ncccc12
• Canonical SMILES: Nc1c(N)c2cccnc2c2c1cccn2
• InChI: InChI=1S/C12H10N4/c13-9-7-3-1-5-15-11(7)12-8(10(9)14)4-2-6-16-12/h1-6H,13-14H2
• InChIKey: MNXMBMNXSPNINS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-phenanthroline-5,6-diamine
• IUPAC Traditional name: 1,10-phenanthroline-5,6-diamine
• Synonyms: 5,6-Diamino-1,10-phenanthroline

Database IDs

• CAS Number: 168646-54-6
• MDL Number: MFCD12913573
• PubChem SID: 180680093
• PubChem CID: 10910805

CALCULATED PROPERTIES

• Acid pKa: 19.982008
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.28076625
• LogD (pH = 7.4): 0.5754122
• Log P: 0.6307032
• Molar Refractivity: 63.3014 cm^3
• Polarizability: 25.935673 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%