2-(benzyloxy)cyclohexan-1-amine hydrochloride

• ChemBase ID: 241635
• Molecular Formular: C13H20ClNO
• Molecular Mass: 241.757
• Monoisotopic Mass: 241.12334195
• SMILES: O(C1C(N)CCCC1)Cc1ccccc1.Cl
• Canonical SMILES: NC1CCCCC1OCc1ccccc1.Cl
• InChI: InChI=1S/C13H19NO.ClH/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10,14H2;1H
• InChIKey: ODDBKOFUCJGDJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)cyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 2-(benzyloxy)cyclohexan-1-amine hydrochloride
• Synonyms: 2-(benzyloxy)cyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22565883
• PubChem SID: 164297545
• PubChem CID: 53395366

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.54236853
• LogD (pH = 7.4): 0.17696291
• Log P: 2.4665077
• Molar Refractivity: 61.6583 cm^3
• Polarizability: 24.728233 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.608

Product Information

• Purity: 95%