[1-(2-ethoxyethyl)cyclobutyl]methanamine

• ChemBase ID: 239561
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(CN)(CCC1)CCOCC
• Canonical SMILES: CCOCCC1(CN)CCC1
• InChI: InChI=1S/C9H19NO/c1-2-11-7-6-9(8-10)4-3-5-9/h2-8,10H2,1H3
• InChIKey: AUXMJHJWQFKJDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-ethoxyethyl)cyclobutyl]methanamine
• IUPAC Traditional name: [1-(2-ethoxyethyl)cyclobutyl]methanamine
• Synonyms: [1-(2-ethoxyethyl)cyclobutyl]methanamine

Database IDs

• MDL Number: MFCD21131455
• PubChem SID: 164295471
• PubChem CID: 65194637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.029446
• LogD (pH = 7.4): -1.4060156
• Log P: 0.98551244
• Molar Refractivity: 46.8894 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.034

Product Information

• Purity: 95%