N-ethylpyridin-4-amine

• ChemBase ID: 273697
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1ccc(NCC)cc1
• Canonical SMILES: CCNc1ccncc1
• InChI: InChI=1S/C7H10N2/c1-2-9-7-3-5-8-6-4-7/h3-6H,2H2,1H3,(H,8,9)
• InChIKey: OTIDWUALRXXVIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylpyridin-4-amine
• IUPAC Traditional name: N-ethylpyridin-4-amine
• Synonyms: N-ethylpyridin-4-amine

Database IDs

• MDL Number: MFCD00082661
• PubChem SID: 164329607
• PubChem CID: 12661197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.39841905
• LogD (pH = 7.4): -0.2844397
• Log P: 0.5851595
• Molar Refractivity: 38.8435 cm^3
• Polarizability: 14.251906 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 1.645

Product Information

• Purity: 95%