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

• ChemBase ID: 12684
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: n1ccc(cc1)CCNCCOC=C
• Canonical SMILES: C=COCCNCCc1ccncc1
• InChI: InChI=1S/C11H16N2O/c1-2-14-10-9-13-8-5-11-3-6-12-7-4-11/h2-4,6-7,13H,1,5,8-10H2
• InChIKey: OMYVBTWPUMIOSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(ethenyloxy)ethyl][2-(pyridin-4-yl)ethyl]amine
• IUPAC Traditional name: [2-(ethenyloxy)ethyl][2-(pyridin-4-yl)ethyl]amine
• Synonyms: (2-Pyridin-4-yl-ethyl)-(2-vinyloxy-ethyl)-amine

Database IDs

• MDL Number: MFCD02731141
• PubChem SID: 160975991
• PubChem CID: 3127275

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3106186
• LogD (pH = 7.4): -0.9233054
• Log P: 1.0602823
• Molar Refractivity: 56.6398 cm^3
• Polarizability: 22.383781 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false