1-(morpholine-4-carbonyl)cyclohexan-1-amine hydrochloride

• ChemBase ID: 259885
• Molecular Formular: C11H21ClN2O2
• Molecular Mass: 248.74964
• Monoisotopic Mass: 248.1291556
• SMILES: C(=O)(N1CCOCC1)C1(N)CCCCC1.Cl
• Canonical SMILES: O=C(C1(N)CCCCC1)N1CCOCC1.Cl
• InChI: InChI=1S/C11H20N2O2.ClH/c12-11(4-2-1-3-5-11)10(14)13-6-8-15-9-7-13;/h1-9,12H2;1H
• InChIKey: JQFWZUDQDJTVRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholine-4-carbonyl)cyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 1-(morpholine-4-carbonyl)cyclohexan-1-amine hydrochloride
• Synonyms: 1-(morpholin-4-ylcarbonyl)cyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD12197057
• PubChem SID: 164315795
• PubChem CID: 45791462

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5232494
• LogD (pH = 7.4): -1.0525913
• Log P: 0.30185118
• Molar Refractivity: 57.7475 cm^3
• Polarizability: 22.96912 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 0.876

Product Information

• Purity: 95%