(1-aminocyclobutyl)methanol

• ChemBase ID: 240457
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C1(N)(CO)CCC1
• Canonical SMILES: OCC1(N)CCC1
• InChI: InChI=1S/C5H11NO/c6-5(4-7)2-1-3-5/h7H,1-4,6H2
• InChIKey: VRDXDROAZSDMSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminocyclobutyl)methanol
• IUPAC Traditional name: (1-aminocyclobutyl)methanol
• Synonyms: (1-aminocyclobutyl)methanol

Database IDs

• CAS Number: 180205-34-9
• MDL Number: MFCD11858293
• PubChem SID: 164296367
• PubChem CID: 21624254

CALCULATED PROPERTIES

• Acid pKa: 14.784857
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.49646
• LogD (pH = 7.4): -2.8702378
• Log P: -0.48165897
• Molar Refractivity: 27.9129 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.392

Product Information

• Purity: 95%; 96%