4-(4-aminonaphthalen-1-yl)naphthalen-1-amine

• ChemBase ID: 107199
• Molecular Formular: C20H16N2
• Molecular Mass: 284.35444
• Monoisotopic Mass: 284.13134852
• SMILES: Nc1ccc(c2ccccc12)c1ccc(N)c2ccccc12
• Canonical SMILES: Nc1ccc(c2c1cccc2)c1ccc(c2c1cccc2)N
• InChI: InChI=1S/C20H16N2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H,21-22H2
• InChIKey: RZPBZEISZUFQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-aminonaphthalen-1-yl)naphthalen-1-amine
• IUPAC Traditional name: 4-(4-aminonaphthalen-1-yl)naphthalen-1-amine
• Synonyms: 4,4'-DIAMINO-1,1'-BINAPHTHYL

Database IDs

• CAS Number: 481-91-4
• PubChem SID: 162093010
• PubChem CID: 68078

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.916329
• LogD (pH = 7.4): 3.9412477
• Log P: 3.9415727
• Molar Refractivity: 93.4954 cm^3
• Polarizability: 38.996635 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202898

MP Biomedicals Rare Chemical collection