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

• ChemBase ID: 12685
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1cnc(cc1)CCNCCOC=C
• Canonical SMILES: C=COCCNCCc1ccccn1
• InChI: InChI=1S/C11H16N2O/c1-2-14-10-9-12-8-6-11-5-3-4-7-13-11/h2-5,7,12H,1,6,8-10H2
• InChIKey: ZEGNVUVSGCGHFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 625410-03-9
• MDL Number: MFCD02824255
• PubChem SID: 160975992
• PubChem CID: 3822228

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0360217
• LogD (pH = 7.4): -0.7115338
• Log P: 1.0901058
• Molar Refractivity: 56.062 cm^3
• Polarizability: 22.385748 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