[(2-fluorophenyl)methyl](propyl)amine

• ChemBase ID: 299299
• Molecular Formular: C10H14FN
• Molecular Mass: 167.2232632
• Monoisotopic Mass: 167.11102767
• SMILES: CCCNCc1ccccc1F
• Canonical SMILES: CCCNCc1ccccc1F
• InChI: InChI=1S/C10H14FN/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-6,12H,2,7-8H2,1H3
• InChIKey: XEAVZYYMEPYGIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](propyl)amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl](propyl)amine
• Synonyms: N-(2-Fluorobenzyl)-1-propylamine; 2-Fluoro-N-n-propylbenzylamine; (2-fluorobenzyl)propylamine

Database IDs

• CAS Number: 62924-67-8
• MDL Number: MFCD07407648
• PubChem SID: 180684830
• PubChem CID: 4719455

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.53938127
• LogD (pH = 7.4): 0.829157
• Log P: 2.553627
• Molar Refractivity: 48.795 cm^3
• Polarizability: 18.864857 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501

Product Information

• Purity: 97%