3-aminocyclopentan-1-ol

• ChemBase ID: 288928
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: NC1CCC(O)C1
• Canonical SMILES: NC1CCC(C1)O
• InChI: InChI=1S/C5H11NO/c6-4-1-2-5(7)3-4/h4-5,7H,1-3,6H2
• InChIKey: YHFYRVZIONNYSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminocyclopentan-1-ol
• IUPAC Traditional name: 3-aminocyclopentan-1-ol
• Synonyms: 3-Aminocyclopentanol

Database IDs

• CAS Number: 13725-38-7
• PubChem SID: 180674459
• PubChem CID: 14299310

CALCULATED PROPERTIES

• Acid pKa: 15.209525
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7511256
• LogD (pH = 7.4): -3.2488625
• Log P: -0.73026955
• Molar Refractivity: 27.9579 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%