2,6-diethylaniline

• ChemBase ID: 134755
• Molecular Formular: C10H15N
• Molecular Mass: 150.2262089
• Monoisotopic Mass: 150.11748438
• SMILES: CCc1cccc(c1[15NH2])CC
• Canonical SMILES: CCc1cccc(c1[15NH2])CC
• InChI: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3/i11+1
• InChIKey: FOYHNROGBXVLLX-KHWBWMQUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diethylaniline
• IUPAC Traditional name: 2,6-diethylaniline
• Synonyms: 2,6-Diethylaniline-15N; 2,6-二乙基苯胺-15N

Database IDs

• CAS Number: 287488-24-8
• MDL Number: MFCD01074133
• PubChem SID: 162229031
• PubChem CID: 12365160

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.04132
• LogD (pH = 7.4): 3.0600557
• Log P: 3.0602999
• Molar Refractivity: 50.0428 cm^3
• Polarizability: 18.721254 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 243 °C(lit.)
• Flash Point: 115 °C; 239 °F
• Density: 0.912 g/mL at 25 °C
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22
• Safety Statements: 23-24
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Storage Temperature: 2-8°C

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 150.23 by atom % calculation
• Linear Formula: (C2H5)2C6H315NH2

DETAILS

Sigma Aldrich - 587990

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.