9H-fluoren-9-amine hydrochloride

• ChemBase ID: 108960
• Molecular Formular: C13H12ClN
• Molecular Mass: 217.69408
• Monoisotopic Mass: 217.06582707
• SMILES: Cl.NC1c2ccccc2c2c1cccc2
• Canonical SMILES: NC1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C13H11N.ClH/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;/h1-8,13H,14H2;1H
• InChIKey: SYKJOJSYQSVNOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-amine hydrochloride
• IUPAC Traditional name: 9H-fluoren-9-amine hydrochloride
• Synonyms: 9-Fluorenamine hydrochloride; 9-AMINOFLUORENE HYDROCHLORIDE; 9-Aminofluorene hydrochloride; 芴-9-胺 盐酸盐; 9-氨基芴 盐酸盐

Database IDs

• CAS Number: 5978-75-6
• EC Number: 227-778-6
• MDL Number: MFCD00012536
• PubChem SID: 24890994; 162094943
• PubChem CID: 2724685

CALCULATED PROPERTIES

• Acid pKa: 18.835398
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.41545287
• LogD (pH = 7.4): 0.6289886
• Log P: 2.557234
• Molar Refractivity: 57.8924 cm^3
• Polarizability: 24.104649 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 265-270 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C13H11N · HCl

DETAILS

MP Biomedicals - 05209358

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A55608

Packaging
5 g in glass bottle