N,N-diethyl-5-ethynylpyridin-2-amine

• ChemBase ID: 813981
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: n1c(ccc(c1)C#C)N(CC)CC
• Canonical SMILES: CCN(c1ccc(cn1)C#C)CC
• InChI: InChI=1S/C11H14N2/c1-4-10-7-8-11(12-9-10)13(5-2)6-3/h1,7-9H,5-6H2,2-3H3
• InChIKey: XPHPMFXSMCCRHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-5-ethynylpyridin-2-amine
• IUPAC Traditional name: N,N-diethyl-5-ethynylpyridin-2-amine
• Synonyms: N,N-diethyl-5-ethynylpyridin-2-amine

Database IDs

• CAS Number: 1196151-15-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1144
• LogD (pH = 7.4): 2.3191082
• Log P: 2.322526
• Molar Refractivity: 53.3127 cm^3
• Polarizability: 20.52332 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%