[(2-fluorophenyl)methyl](methyl)amine

• ChemBase ID: 66360
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: N(C)Cc1c(cccc1)F
• Canonical SMILES: CNCc1ccccc1F
• InChI: InChI=1S/C8H10FN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
• InChIKey: AHIHZCXUWGORQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](methyl)amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl](methyl)amine
• Synonyms: (2-Fluorobenzyl)methylamine; (2-Fluorobenzyl)methylamine; N-(2-Fluorobenzyl)-N-methylamine; N-Methyl-2-fluorobenzylamine; N-Methyl-o-fluorobenzylamine; 2-Fluoro-N-methylbenzylamine; N-(2-fluorobenzyl)-N-methylamine; N-甲基-2-氟苄胺

Database IDs

• CAS Number: 399-30-4
• MDL Number: MFCD04629633
• PubChem SID: 24882384; 162032098
• PubChem CID: 2060842

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3339368
• LogD (pH = 7.4): 0.17957732
• Log P: 1.6742966
• Molar Refractivity: 39.5224 cm^3
• Polarizability: 15.180774 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73 °C/12 mmHg(lit.)
• Flash Point: 154.4 °F; 68 °C
• Density: 1.047 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5010(lit.)
• Hydrophobicity(logP): 1.653

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-36/37
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 97%
• Linear Formula: FC6H4CH2NHCH3

DETAILS

Sigma Aldrich - 631094

Packaging
1, 5 g in glass bottle
Application
Reactant for:
• Preparation of biologically and pharmacologically active molecules1,2