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

• ChemBase ID: 79723
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: n1c(cccc1)CCN(CC)CC
• Canonical SMILES: CCN(CCc1ccccn1)CC
• InChI: InChI=1S/C11H18N2/c1-3-13(4-2)10-8-11-7-5-6-9-12-11/h5-7,9H,3-4,8,10H2,1-2H3
• InChIKey: PMDWLPBLYZHLHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: diethyl[2-(pyridin-2-yl)ethyl]amine
• Synonyms: N,N-Diethyl-2-pyridin-2-ylethylamine; 2-(2-Diethylamino)ethylpyridine; diethyl[2-(pyridin-2-yl)ethyl]amine

Database IDs

• CAS Number: 25877-30-9
• MDL Number: MFCD00014633
• PubChem SID: 162044486
• PubChem CID: 96498

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5973668
• LogD (pH = 7.4): -0.15294738
• Log P: 1.7290707
• Molar Refractivity: 56.1182 cm^3
• Polarizability: 21.960043 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.676

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%