2-(4-fluorophenyl)ethan-1-amine

• ChemBase ID: 69789
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: NCCc1ccc(cc1)F
• Canonical SMILES: NCCc1ccc(cc1)F
• InChI: InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
• InChIKey: CKLFJWXRWIQYOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)ethan-1-amine
• IUPAC Traditional name: 2-(4-fluorophenyl)ethanamine
• Synonyms: 2-(4-fluorophenyl)ethanamine; 4-Fluorophenethylamine; 4-Fluorophenethylamine; 2-(4-Fluoro-phenyl)-ethylamine; 4-氟苯乙胺

Database IDs

• CAS Number: 1583-88-6
• EC Number: 216-435-6
• MDL Number: MFCD00134208
• PubChem SID: 24862263; 162035514
• PubChem CID: 4653

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4797142
• LogD (pH = 7.4): -0.7778103
• Log P: 1.5303774
• Molar Refractivity: 39.5028 cm^3
• Polarizability: 15.106853 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50-52 °C/0.15 mmHg(lit.)
• Flash Point: 174.2 °F; 79 °C
• Density: 1.061 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5072(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Toxic (T)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 23/24/25-34
• Safety Statements: 26-27-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H331
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2

Pharmacology Properties

• Gene Information: human ... AOC3(8639)mouse ... Aoc3(11754)

Product Information

• Purity: 95+%; 97%; 99%
• Linear Formula: FC6H4CH2CH2NH2

DETAILS

Sigma Aldrich - 361828

Packaging
10, 50 g in glass bottle