(3-ethylpyridin-4-yl)methanamine

• ChemBase ID: 241940
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1cc(c(CN)cc1)CC
• Canonical SMILES: CCc1cnccc1CN
• InChI: InChI=1S/C8H12N2/c1-2-7-6-10-4-3-8(7)5-9/h3-4,6H,2,5,9H2,1H3
• InChIKey: OPQXIXQHINAEIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethylpyridin-4-yl)methanamine
• IUPAC Traditional name: (3-ethylpyridin-4-yl)methanamine
• Synonyms: (3-ethylpyridin-4-yl)methanamine

Database IDs

• PubChem SID: 164297850
• PubChem CID: 71756908

CALCULATED PROPERTIES

• Polarizability: 16.416248 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1267786
• LogD (pH = 7.4): -1.0134332
• Log P: 0.83933187
• Molar Refractivity: 42.0167 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.575

Product Information

• Purity: 95%