2-(cyclopentylamino)ethan-1-ol hydrochloride

• ChemBase ID: 261182
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: N(C1CCCC1)CCO.Cl
• Canonical SMILES: OCCNC1CCCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c9-6-5-8-7-3-1-2-4-7;/h7-9H,1-6H2;1H
• InChIKey: QGGSMTIFVBPOCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylamino)ethan-1-ol hydrochloride
• IUPAC Traditional name: 2-(cyclopentylamino)ethanol hydrochloride
• Synonyms: 2-(cyclopentylamino)ethan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD12912811
• PubChem SID: 164317092
• PubChem CID: 45791729

CALCULATED PROPERTIES

• Acid pKa: 15.601776
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7526028
• LogD (pH = 7.4): -2.1370792
• Log P: 0.47172138
• Molar Refractivity: 37.3989 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 134°C
• Hydrophobicity(logP): 0.481

Product Information

• Purity: 95%