(2-aminoethoxy)cyclopentane hydrochloride

• ChemBase ID: 260186
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: Cl.NCCOC1CCCC1
• Canonical SMILES: NCCOC1CCCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c8-5-6-9-7-3-1-2-4-7;/h7H,1-6,8H2;1H
• InChIKey: RKCDMLPVQCFUJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethoxy)cyclopentane hydrochloride
• IUPAC Traditional name: (2-aminoethoxy)cyclopentane hydrochloride
• Synonyms: (2-aminoethoxy)cyclopentane hydrochloride

Database IDs

• MDL Number: MFCD12197142
• PubChem SID: 164316096
• PubChem CID: 45791518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.300794
• LogD (pH = 7.4): -1.3247974
• Log P: 0.6822675
• Molar Refractivity: 37.3755 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): 0.8

Product Information

• Purity: 95%