N-[2-(dimethylamino)ethyl]-N-ethylaniline

• ChemBase ID: 288419
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: CN(C)CCN(CC)c1ccccc1
• Canonical SMILES: CCN(c1ccccc1)CCN(C)C
• InChI: InChI=1S/C12H20N2/c1-4-14(11-10-13(2)3)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
• InChIKey: FWAWELGQRMERND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-N-ethylaniline
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-N-ethylaniline
• Synonyms: N1-Ethyl-N2,N2-dimethyl-N1-phenylethane-1,2-diamine

Database IDs

• CAS Number: 27692-91-7
• MDL Number: MFCD00035981
• PubChem SID: 180673950
• PubChem CID: 33984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6925387
• LogD (pH = 7.4): 0.9438312
• Log P: 2.456742
• Molar Refractivity: 63.2543 cm^3
• Polarizability: 24.094065 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%