2,5-bis(ethylamino)pyridine-3-carbonitrile

• ChemBase ID: 796186
• Molecular Formular: C10H14N4
• Molecular Mass: 190.24496
• Monoisotopic Mass: 190.12184647
• SMILES: c1c(c(ncc1NCC)NCC)C#N
• Canonical SMILES: CCNc1cnc(c(c1)C#N)NCC
• InChI: InChI=1S/C10H14N4/c1-3-12-9-5-8(6-11)10(13-4-2)14-7-9/h5,7,12H,3-4H2,1-2H3,(H,13,14)
• InChIKey: RXOAURZFCHKFDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-bis(ethylamino)pyridine-3-carbonitrile
• IUPAC Traditional name: 2,5-bis(ethylamino)pyridine-3-carbonitrile
• Synonyms: 2,5-Bis(ethylaMino)nicotinonitrile

Database IDs

• CAS Number: 1346809-31-1

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8625068
• LogD (pH = 7.4): 0.865264
• Log P: 0.8652993
• Molar Refractivity: 59.821 cm^3
• Polarizability: 20.906242 Å^3
• Polar Surface Area: 60.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%