[3-(4-fluorophenyl)phenyl]methanamine hydrochloride

• ChemBase ID: 297461
• Molecular Formular: C13H13ClFN
• Molecular Mass: 237.7004232
• Monoisotopic Mass: 237.07205532
• SMILES: c1cc(cc(c1)c1ccc(cc1)F)CN.Cl
• Canonical SMILES: NCc1cccc(c1)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C13H12FN.ClH/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15;/h1-8H,9,15H2;1H
• InChIKey: ZYGOVJWOSPPYEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-fluorophenyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [3-(4-fluorophenyl)phenyl]methanamine hydrochloride
• Synonyms: 4'-Fluoro-3-biphenylmethylamine hydrochloride; 4'-氟联苯基-2-甲基胺.盐酸盐

Database IDs

• MDL Number: MFCD05981710
• PubChem SID: 180682992
• PubChem CID: 17998850

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.09524557
• LogD (pH = 7.4): 0.87250257
• Log P: 2.8889415
• Molar Refractivity: 59.884 cm^3
• Polarizability: 24.343483 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 99%