4-methoxy-N-methylcyclohexan-1-amine hydrochloride

• ChemBase ID: 274182
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N(C1CCC(CC1)OC)C.Cl
• Canonical SMILES: CNC1CCC(CC1)OC.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-9-7-3-5-8(10-2)6-4-7;/h7-9H,3-6H2,1-2H3;1H
• InChIKey: VSUFVISYKAHGKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-methylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 4-methoxy-N-methylcyclohexan-1-amine hydrochloride
• Synonyms: 4-methoxy-N-methylcyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18917255
• PubChem SID: 164330092
• PubChem CID: 54593058

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3744009
• LogD (pH = 7.4): -2.103644
• Log P: 0.86280006
• Molar Refractivity: 42.1283 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 0.142

Product Information

• Purity: 95%