(4-fluoro-2-methoxyphenyl)methanamine

• ChemBase ID: 287774
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: NCc1ccc(F)cc1OC
• Canonical SMILES: COc1cc(F)ccc1CN
• InChI: InChI=1S/C8H10FNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
• InChIKey: OUYQGZMPYJPPER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 870563-60-3
• MDL Number: MFCD04116361
• PubChem SID: 180673305
• PubChem CID: 17750694

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7925489
• LogD (pH = 7.4): -0.41235647
• Log P: 1.0840449
• Molar Refractivity: 41.211 cm^3
• Polarizability: 15.874081 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5240

Safety Information

• Storage Warning: Air Sensitive
• 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%