[2-(4-fluorophenyl)phenyl]methanamine

• ChemBase ID: 19478
• Molecular Formular: C13H12FN
• Molecular Mass: 201.2394832
• Monoisotopic Mass: 201.09537761
• SMILES: c1(c2ccc(cc2)F)c(CN)cccc1
• Canonical SMILES: NCc1ccccc1c1ccc(cc1)F
• InChI: InChI=1S/C13H12FN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H,9,15H2
• InChIKey: MLXCERLVQPYBIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-fluorophenyl)phenyl]methanamine
• IUPAC Traditional name: [2-(4-fluorophenyl)phenyl]methanamine
• Synonyms: 4'-Fluoro-2-biphenylmethylamine; (4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine; (4'-fluorobiphenyl-2-yl)methanamine; 4'-氟联苯基-2-甲基胺

Database IDs

• CAS Number: 884504-18-1
• MDL Number: MFCD05864430
• PubChem SID: 160982785
• PubChem CID: 3770185

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.11395702
• LogD (pH = 7.4): 0.6815093
• Log P: 2.8889415
• Molar Refractivity: 59.884 cm^3
• Polarizability: 24.344296 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• 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: 97%; 98%