(2-aminoethoxy)cyclohexane hydrochloride

• ChemBase ID: 261916
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: Cl.NCCOC1CCCCC1
• Canonical SMILES: NCCOC1CCCCC1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c9-6-7-10-8-4-2-1-3-5-8;/h8H,1-7,9H2;1H
• InChIKey: ODXZQIXNOIOPRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913027
• PubChem SID: 164317826
• PubChem CID: 45791930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8562253
• LogD (pH = 7.4): -0.8802287
• Log P: 1.1268362
• Molar Refractivity: 41.9765 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 1.359

Product Information

• Purity: 95%