2-cyclopentylethan-1-amine hydrochloride

• ChemBase ID: 257275
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: Cl.NCCC1CCCC1
• Canonical SMILES: NCCC1CCCC1.Cl
• InChI: InChI=1S/C7H15N.ClH/c8-6-5-7-3-1-2-4-7;/h7H,1-6,8H2;1H
• InChIKey: PSWQBGNJVWDEOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylethan-1-amine hydrochloride
• IUPAC Traditional name: 2-cyclopentylethanamine hydrochloride
• Synonyms: 2-cyclopentylethanamine hydrochloride

Database IDs

• CAS Number: 684221-26-9
• MDL Number: MFCD09866300
• PubChem SID: 164313185
• PubChem CID: 42944930

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6129458
• LogD (pH = 7.4): -1.1881957
• Log P: 1.4108707
• Molar Refractivity: 35.7408 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 1.956

Product Information

• Purity: 95%; 95+%