diethyl[2-(pyridin-4-yl)ethyl]amine

• ChemBase ID: 10697
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: c1cnccc1CCN(CC)CC
• Canonical SMILES: CCN(CCc1ccncc1)CC
• InChI: InChI=1S/C11H18N2/c1-3-13(4-2)10-7-11-5-8-12-9-6-11/h5-6,8-9H,3-4,7,10H2,1-2H3
• InChIKey: KHPJCEUYRXYZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(pyridin-4-yl)ethyl]amine
• IUPAC Traditional name: diethyl[2-(pyridin-4-yl)ethyl]amine
• Synonyms: N1,N1-diethyl-2-(4-pyridyl)ethan-1-amine; 4-(2-Diethylaminoethyl)pyridine

Database IDs

• CAS Number: 67580-61-4
• MDL Number: MFCD00023637
• PubChem SID: 160974004
• PubChem CID: 247907

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.8673428
• LogD (pH = 7.4): -0.46315396
• Log P: 1.6992472
• Molar Refractivity: 56.696 cm^3
• Polarizability: 21.958036 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%