1-(propan-2-yl)azetidin-3-ol

• ChemBase ID: 309614
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1(CC(C1)O)C(C)C
• Canonical SMILES: CC(N1CC(C1)O)C
• InChI: InChI=1S/C6H13NO/c1-5(2)7-3-6(8)4-7/h5-6,8H,3-4H2,1-2H3
• InChIKey: XSGMJDQRZDWEPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)azetidin-3-ol
• IUPAC Traditional name: 1-isopropylazetidin-3-ol
• Synonyms: 1-isopropyl-3-azetidinol

Database IDs

• CAS Number: 13156-06-4
• MDL Number: MFCD16038651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.128841
• LogD (pH = 7.4): -0.39491594
• Log P: 0.16169256
• Molar Refractivity: 33.149 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 23.47 Å^2