1-(4-fluorophenyl)-2-methylpropan-2-amine

• ChemBase ID: 11961
• Molecular Formular: C10H14FN
• Molecular Mass: 167.2232632
• Monoisotopic Mass: 167.11102767
• SMILES: c1c(ccc(c1)CC(C)(C)N)F
• Canonical SMILES: CC(Cc1ccc(cc1)F)(N)C
• InChI: InChI=1S/C10H14FN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
• InChIKey: JITFIYFVPMQJOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-2-methylpropan-2-amine
• IUPAC Traditional name: 1-(4-fluorophenyl)-2-methylpropan-2-amine
• Synonyms: 4-Fluorophenyl-2-methyl-2-aminopropane; 2-Amino-1-(4-fluorophenyl)-2-methylpropane; 1,1-Dimethyl-2-(4-fluorophenyl)ethylamine; 1-(4-Fluorophenyl)-2-methyl-2-propylamine; 1-(4-Fluorophenyl)-2-methylpropan-2-amine; 1-(4-Fluorophenyl)-2-methyl-2-aminopropane 97%; 1-(4-氟苯基)-2-甲基-2-丙基胺

Database IDs

• CAS Number: 1200-27-7
• EC Number: 000-000-0
• MDL Number: MFCD00082702
• Beilstein Number: 2802368
• PubChem SID: 160975268
• PubChem CID: 518471

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7974007
• LogD (pH = 7.4): -0.40598533
• Log P: 2.227529
• Molar Refractivity: 48.5598 cm^3
• Polarizability: 18.789768 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 180°C; 82-83°C/9mm
• Flash Point: >110°C(230°F); 90°C
• Refractive Index: 1.495; 1.4950

Safety Information

• Storage Warning: Corrosive; IRRITANT
• 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: 95+%; 96%; 97%