1-(3-ethylpyridin-4-yl)ethan-1-amine

• ChemBase ID: 241958
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(c(cncc1)CC)C(N)C
• Canonical SMILES: CCc1cnccc1C(N)C
• InChI: InChI=1S/C9H14N2/c1-3-8-6-11-5-4-9(8)7(2)10/h4-7H,3,10H2,1-2H3
• InChIKey: KEKZXRJWDVUQQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-ethylpyridin-4-yl)ethan-1-amine
• IUPAC Traditional name: 1-(3-ethylpyridin-4-yl)ethanamine
• Synonyms: 1-(3-ethylpyridin-4-yl)ethan-1-amine

Database IDs

• PubChem SID: 164297868
• PubChem CID: 71756913

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7385938
• LogD (pH = 7.4): -0.806969
• Log P: 1.2559069
• Molar Refractivity: 46.4355 cm^3
• Polarizability: 18.26221 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.884

Product Information

• Purity: 95%