4-[9-(4-aminophenyl)-9H-fluoren-9-yl]aniline

• ChemBase ID: 21845
• Molecular Formular: C25H20N2
• Molecular Mass: 348.4397
• Monoisotopic Mass: 348.16264865
• SMILES: C1(c2c(c3c1cccc3)cccc2)(c1ccc(N)cc1)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)C1(c2ccc(cc2)N)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C25H20N2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16H,26-27H2
• InChIKey: KIFDSGGWDIVQGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[9-(4-aminophenyl)-9H-fluoren-9-yl]aniline
• IUPAC Traditional name: 4-[9-(4-aminophenyl)fluoren-9-yl]aniline
• Synonyms: 4-[9-(4-Aminophenyl)-9H-fluoren-9-yl]aniline; 4,4′-(9-Fluorenylidene)dianiline; 4,4'-(9H-Fluorene-9,9-diyl)dianiline; 9,9-双(4-氨基苯基)芴

Database IDs

• CAS Number: 15499-84-0
• MDL Number: MFCD00039156
• PubChem SID: 160985152; 24867407
• PubChem CID: 631552

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.9008436
• LogD (pH = 7.4): 4.935389
• Log P: 4.9358416
• Molar Refractivity: 113.4879 cm^3
• Polarizability: 43.96815 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 237-239 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; 99%
• Empirical Formula (Hill Notation): C25H20N2

DETAILS

Sigma Aldrich - 437913

Packaging
25 g in glass bottle