2-amino-1-(2-fluorophenyl)ethan-1-ol

• ChemBase ID: 256300
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1(c(F)cccc1)C(O)CN
• Canonical SMILES: NCC(c1ccccc1F)O
• InChI: InChI=1S/C8H10FNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H,5,10H2
• InChIKey: MFGOFGRYDNHJTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(2-fluorophenyl)ethan-1-ol
• IUPAC Traditional name: 2-amino-1-(2-fluorophenyl)ethanol
• Synonyms: 2-Amino-1-(2-fluorophenyl)ethanol; 2-amino-1-(2-fluorophenyl)ethanol; 2-氨基-1-(2-氟苯基)乙醇

Database IDs

• CAS Number: 3225-74-9
• MDL Number: MFCD08060976
• PubChem SID: 164312210
• PubChem CID: 15067176

CALCULATED PROPERTIES

• Acid pKa: 13.765608
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2970407
• LogD (pH = 7.4): -0.99369943
• Log P: 0.61138123
• Molar Refractivity: 40.7103 cm^3
• Polarizability: 15.81725 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 0.418

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: 95%; 99%