3-aminocyclobutan-1-ol

• ChemBase ID: 65928
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: NC1CC(C1)O
• Canonical SMILES: NC1CC(C1)O
• InChI: InChI=1S/C4H9NO/c5-3-1-4(6)2-3/h3-4,6H,1-2,5H2
• InChIKey: JLUZCHOYSPEHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminocyclobutan-1-ol
• IUPAC Traditional name: 3-aminocyclobutan-1-ol
• Synonyms: 3-Aminocyclobutanol; Cyclobutanol, 3-amino

Database IDs

• CAS Number: 1036260-25-9; 4640-44-2
• MDL Number: MFCD09027510; MFCD12547215
• PubChem SID: 162031667
• PubChem CID: 45789889

CALCULATED PROPERTIES

• Acid pKa: 15.442173
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.257658
• LogD (pH = 7.4): -3.554791
• Log P: -1.2476321
• Molar Refractivity: 23.3133 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; min 95%