biphenylen-2-amine

• ChemBase ID: 76467
• Molecular Formular: C12H9N
• Molecular Mass: 167.20656
• Monoisotopic Mass: 167.07349929
• SMILES: Nc1cc2c(cc1)c1ccccc21
• Canonical SMILES: Nc1ccc2c(c1)c1c2cccc1
• InChI: InChI=1S/C12H9N/c13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H,13H2
• InChIKey: NCIHXLNXNJCGIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: biphenylen-2-amine
• IUPAC Traditional name: biphenylen-2-amine
• Synonyms: 2-Aminobiphenylene

Database IDs

• MDL Number: MFCD06796310
• PubChem SID: 162041371
• PubChem CID: 22641511

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4504292
• LogD (pH = 7.4): 2.4653313
• Log P: 2.4655247
• Molar Refractivity: 54.9728 cm^3
• Polarizability: 23.345018 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true