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

• ChemBase ID: 31669
• Molecular Formular: C9H12FN
• Molecular Mass: 153.1966832
• Monoisotopic Mass: 153.09537761
• SMILES: c1(F)ccc(CC(N)C)cc1
• Canonical SMILES: CC(Cc1ccc(cc1)F)N
• InChI: InChI=1S/C9H12FN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
• InChIKey: DGXWNDGLEOIEGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)propan-2-amine
• IUPAC Traditional name: 4-fluoroamphetamine
• Synonyms: 2-(4-Fluoro-phenyl)-1-methyl-ethylamine; 1-(4-fluorophenyl)propan-2-amine; 1-(4-Fluorophenyl)-2-propylamine; 1-(4-氟苯基)-2-丙胺

Database IDs

• CAS Number: 459-02-9; 377084-68-9
• MDL Number: MFCD01708101
• PubChem SID: 160994976
• PubChem CID: 9986

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0722251
• LogD (pH = 7.4): -0.5316988
• Log P: 1.9469525
• Molar Refractivity: 43.9216 cm^3
• Polarizability: 16.947783 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.885

Safety Information

• Storage Warning: IRRITANT
• RTECS: SH7040000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%