2-aminocyclobutan-1-ol

• ChemBase ID: 282395
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: C1(C(CC1)O)N
• Canonical SMILES: OC1CCC1N
• InChI: InChI=1S/C4H9NO/c5-3-1-2-4(3)6/h3-4,6H,1-2,5H2
• InChIKey: WXKBWWIWJCCING-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclobutan-1-ol
• IUPAC Traditional name: 2-aminocyclobutan-1-ol
• Synonyms: 2-aminocyclobutan-1-ol

Database IDs

• MDL Number: MFCD17977249
• PubChem SID: 180667926
• PubChem CID: 12414299

CALCULATED PROPERTIES

• Acid pKa: 14.806328
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7912521
• LogD (pH = 7.4): -2.9746268
• Log P: -0.79022926
• Molar Refractivity: 23.0925 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.011

Product Information

• Purity: 95%