2-amino-3-cyclopentylpropan-1-ol

• ChemBase ID: 245381
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C(C1CCCC1)C(N)CO
• Canonical SMILES: OCC(CC1CCCC1)N
• InChI: InChI=1S/C8H17NO/c9-8(6-10)5-7-3-1-2-4-7/h7-8,10H,1-6,9H2
• InChIKey: LUCJHUFJXWQCIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-cyclopentylpropan-1-ol
• IUPAC Traditional name: 2-amino-3-cyclopentylpropan-1-ol
• Synonyms: 2-amino-3-cyclopentylpropan-1-ol

Database IDs

• MDL Number: MFCD19216186
• PubChem SID: 164301291
• PubChem CID: 55285969

CALCULATED PROPERTIES

• Acid pKa: 15.127322
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2309864
• LogD (pH = 7.4): -1.5506133
• Log P: 0.78053576
• Molar Refractivity: 41.7033 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.105

Product Information

• Purity: 95%