1-ethylazetidin-3-ol

• ChemBase ID: 309568
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N1(CC(C1)O)CC
• Canonical SMILES: CCN1CC(C1)O
• InChI: InChI=1S/C5H11NO/c1-2-6-3-5(7)4-6/h5,7H,2-4H2,1H3
• InChIKey: ZMXWVFGREWGXIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylazetidin-3-ol
• IUPAC Traditional name: 1-ethylazetidin-3-ol
• Synonyms: 1-ethyl-3-azetidinol

Database IDs

• CAS Number: 35995-21-2
• MDL Number: MFCD12406964

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2850094
• LogD (pH = 7.4): -0.63191265
• Log P: -0.25488245
• Molar Refractivity: 28.7302 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 23.47 Å^2