(3-fluoro-4-methoxyphenyl)methanamine

• ChemBase ID: 98947
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: NCc1cc(c(cc1)OC)F
• Canonical SMILES: NCc1ccc(c(c1)F)OC
• InChI: InChI=1S/C8H10FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3
• InChIKey: AZHAJNNLBSKSOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-4-methoxyphenyl)methanamine
• IUPAC Traditional name: (3-fluoro-4-methoxyphenyl)methanamine
• Synonyms: 2-Fluoro-4-(aminomethyl)anisole; 3-Fluoro-4-methoxybenzylamine; 3-Fluoro-4-methoxybenzylamine; 3-氟-4-甲氧苄胺

Database IDs

• CAS Number: 123652-95-9
• MDL Number: MFCD04116360
• PubChem SID: 162085270
• PubChem CID: 14392588

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8847365
• LogD (pH = 7.4): -0.81752753
• Log P: 1.0840449
• Molar Refractivity: 41.211 cm^3
• Polarizability: 15.874172 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5280

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under inert gas
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%