(4-amino-3-fluorophenyl)methanol

• ChemBase ID: 43669
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: c1(c(ccc(c1)CO)N)F
• Canonical SMILES: OCc1ccc(c(c1)F)N
• InChI: InChI=1S/C7H8FNO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4,9H2
• InChIKey: VADDSNYDZBXHNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-amino-3-fluorophenyl)methanol
• IUPAC Traditional name: (4-amino-3-fluorophenyl)methanol
• Synonyms: (4-Amino-3-fluorophenyl)methanol; 2-Fluoro-4-(hydroxymethyl)aniline; (4-Amino-3-fluorophenyl)methanol; 4-Amino-3-fluorobenzyl alcohol

Database IDs

• CAS Number: 146019-45-6
• MDL Number: MFCD03094241
• PubChem SID: 162048432
• PubChem CID: 2737678

CALCULATED PROPERTIES

• Acid pKa: 14.996264
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.519394
• LogD (pH = 7.4): 0.5196685
• Log P: 0.51967204
• Molar Refractivity: 37.7907 cm^3
• Polarizability: 13.6203 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Condition: Store under N2
• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%