biphenylene-2,6-diamine

• ChemBase ID: 76477
• Molecular Formular: C12H10N2
• Molecular Mass: 182.2212
• Monoisotopic Mass: 182.08439833
• SMILES: Nc1cc2c(cc1)c1cc(ccc21)N
• Canonical SMILES: Nc1ccc2c(c1)c1c2cc(cc1)N
• InChI: InChI=1S/C12H10N2/c13-7-1-3-9-11(5-7)10-4-2-8(14)6-12(9)10/h1-6H,13-14H2
• InChIKey: NHKFQWGBZIMLPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: biphenylene-2,6-diamine
• IUPAC Traditional name: biphenylene-2,6-diamine
• Synonyms: 2,6-Diaminobiphenylene

Database IDs

• MDL Number: MFCD06796313
• PubChem SID: 162041381
• PubChem CID: 26369648

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6075566
• LogD (pH = 7.4): 1.6362232
• Log P: 1.6365988
• Molar Refractivity: 59.6732 cm^3
• Polarizability: 24.394281 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true