(5-fluoro-2-methylphenyl)methanamine

• ChemBase ID: 7214
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: c1(ccc(c(c1)CN)C)F
• Canonical SMILES: NCc1cc(F)ccc1C
• InChI: InChI=1S/C8H10FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3
• InChIKey: KDOUBUZYGVSSLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-2-methylphenyl)methanamine
• IUPAC Traditional name: (5-fluoro-2-methylphenyl)methanamine
• Synonyms: 5-Fluoro-2-methylbenzylamine; 5-Fluoro-2-methylbenzylamine; 5-氟-2-甲基苄胺

Database IDs

• CAS Number: 261951-69-3
• MDL Number: MFCD01631526
• PubChem SID: 160970521
• PubChem CID: 2774601

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2141013
• LogD (pH = 7.4): -0.14948599
• Log P: 1.7551376
• Molar Refractivity: 39.789 cm^3
• Polarizability: 15.104091 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5194

Safety Information

• Storage Warning: Air Sensitive; AIR SENSITIVE, CORROSIVE; Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%