1-amino-2-cyclopentylpropan-2-ol

• ChemBase ID: 274250
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C(C1CCCC1)(O)(CN)C
• Canonical SMILES: NCC(C1CCCC1)(O)C
• InChI: InChI=1S/C8H17NO/c1-8(10,6-9)7-4-2-3-5-7/h7,10H,2-6,9H2,1H3
• InChIKey: CZBKBYJCHJYUIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16830668
• PubChem SID: 164330160
• PubChem CID: 54593091

CALCULATED PROPERTIES

• Acid pKa: 14.437356
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3059983
• LogD (pH = 7.4): -1.4836276
• Log P: 0.69449747
• Molar Refractivity: 41.6635 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.975

Product Information

• Purity: 95%