2-amino-9H-fluoren-9-one

• ChemBase ID: 107068
• Molecular Formular: C13H9NO
• Molecular Mass: 195.21666
• Monoisotopic Mass: 195.06841391
• SMILES: Nc1ccc2c3ccccc3C(=O)c2c1
• Canonical SMILES: Nc1ccc2c(c1)C(=O)c1c2cccc1
• InChI: InChI=1S/C13H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H,14H2
• InChIKey: SJODITPGMMSNRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-9H-fluoren-9-one
• IUPAC Traditional name: 2-amino-9-fluorenone
• Synonyms: 2-AMINO-9-FLUORENONE; 2-Amino-9-fluorenone; 2-氨基-9-芴酮

Database IDs

• CAS Number: 3096-57-9
• EC Number: 221-445-9
• MDL Number: MFCD00001157
• PubChem SID: 162093244; 24890997
• PubChem CID: 18357

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.276323
• LogD (pH = 7.4): 2.2776356
• Log P: 2.2776525
• Molar Refractivity: 60.4121 cm^3
• Polarizability: 23.819212 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157-160 °C(lit.); 157-160°C

Safety Information

• RTECS: LL8980200
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C13H9NO

DETAILS

MP Biomedicals - 05202429

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A55802

Packaging
1, 10 g in glass bottle