9H-fluoren-1-amine

• ChemBase ID: 145508
• Molecular Formular: C13H11N
• Molecular Mass: 181.23314
• Monoisotopic Mass: 181.08914936
• SMILES: c1ccc2c(c1)Cc1c2cccc1N
• Canonical SMILES: Nc1cccc2c1Cc1c2cccc1
• InChI: InChI=1S/C13H11N/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8,14H2
• InChIKey: CYSPWCARDHRYJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-1-amine
• IUPAC Traditional name: 9H-fluoren-1-amine
• Synonyms: 1-Fluorenamine; 1-Aminofluorene; 1-芴胺; 1-氨基芴

Database IDs

• CAS Number: 6344-63-4
• MDL Number: MFCD00010780
• PubChem SID: 24858060; 162239713
• PubChem CID: 22817

CALCULATED PROPERTIES

• Acid pKa: 17.501867
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.901958
• LogD (pH = 7.4): 2.90999
• Log P: 2.9100935
• Molar Refractivity: 59.5738 cm^3
• Polarizability: 23.601822 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125-126 °C(lit.)

Safety Information

• RTECS: LL5074000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C13H11N

DETAILS

Sigma Aldrich - 299774

Packaging
100 mg in glass bottle