4-ethoxybutan-1-amine

• ChemBase ID: 260328
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: NCCCCOCC
• Canonical SMILES: NCCCCOCC
• InChI: InChI=1S/C6H15NO/c1-2-8-6-4-3-5-7/h2-7H2,1H3
• InChIKey: GDELFUQKNPLION-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxybutan-1-amine
• IUPAC Traditional name: 4-ethoxybutan-1-amine
• Synonyms: 4-ethoxybutan-1-amine

Database IDs

• MDL Number: MFCD09808783
• PubChem SID: 164316238
• PubChem CID: 10441690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7622395
• LogD (pH = 7.4): -2.3409278
• Log P: 0.26169598
• Molar Refractivity: 35.2209 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.041

Product Information

• Purity: 95%