1-(2-ethoxyethyl)cyclopentan-1-amine hydrochloride

• ChemBase ID: 241169
• Molecular Formular: C9H20ClNO
• Molecular Mass: 193.7142
• Monoisotopic Mass: 193.12334195
• SMILES: C1(N)(CCOCC)CCCC1.Cl
• Canonical SMILES: CCOCCC1(N)CCCC1.Cl
• InChI: InChI=1S/C9H19NO.ClH/c1-2-11-8-7-9(10)5-3-4-6-9;/h2-8,10H2,1H3;1H
• InChIKey: KSLHZNXSSYBFMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyethyl)cyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2-ethoxyethyl)cyclopentan-1-amine hydrochloride
• Synonyms: 1-(2-ethoxyethyl)cyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22421824
• PubChem SID: 164297079
• PubChem CID: 71756723

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0071485
• LogD (pH = 7.4): -1.8114821
• Log P: 1.0228039
• Molar Refractivity: 46.8791 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): 1.646

Product Information

• Purity: 95%