2-butoxyethan-1-amine

• ChemBase ID: 261905
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: NCCOCCCC
• Canonical SMILES: CCCCOCCN
• InChI: InChI=1S/C6H15NO/c1-2-3-5-8-6-4-7/h2-7H2,1H3
• InChIKey: BFBKUYFMLNOLOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxyethan-1-amine
• IUPAC Traditional name: 2-butoxyethanamine
• Synonyms: 2-butoxyethan-1-amine

Database IDs

• MDL Number: MFCD00047956
• PubChem SID: 164317815
• PubChem CID: 80643

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.331646
• LogD (pH = 7.4): -1.356006
• Log P: 0.65146464
• Molar Refractivity: 34.8359 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): 0.915

Product Information

• Purity: 95%