1-(2-phenyldiazen-1-yl)naphthalen-2-amine

• ChemBase ID: 107567
• Molecular Formular: C16H13N3
• Molecular Mass: 247.29452
• Monoisotopic Mass: 247.11094743
• SMILES: Nc1ccc2ccccc2c1/N=N/c1ccccc1
• Canonical SMILES: Nc1ccc2c(c1/N=N/c1ccccc1)cccc2
• InChI: InChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2
• InChIKey: KLCDQSGLLRINHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenyldiazen-1-yl)naphthalen-2-amine
• IUPAC Traditional name: 1-(2-phenyldiazen-1-yl)naphthalen-2-amine
• Synonyms: YELLOW AB

Database IDs

• CAS Number: 85-84-7
• EC Number: 201-636-3
• PubChem SID: 162094069
• PubChem CID: 6824

CALCULATED PROPERTIES

• Acid pKa: 17.521452
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.5396805
• LogD (pH = 7.4): 4.53969
• Log P: 4.5396905
• Molar Refractivity: 81.5276 cm^3
• Polarizability: 30.307095 Å^3
• Polar Surface Area: 50.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102°C

Safety Information

• RTECS: QM4725000

DETAILS

MP Biomedicals - 05204203

MP Biomedicals Rare Chemical collection