2-(morpholine-4-carbonyl)aniline hydrochloride

• ChemBase ID: 310271
• Molecular Formular: C11H15ClN2O2
• Molecular Mass: 242.702
• Monoisotopic Mass: 242.08220541
• SMILES: C(=O)(c1c(N)cccc1)N1CCOCC1.Cl
• Canonical SMILES: Nc1ccccc1C(=O)N1CCOCC1.Cl
• InChI: InChI=1S/C11H14N2O2.ClH/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13;/h1-4H,5-8,12H2;1H
• InChIKey: BCTFRMAGTVLJGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-carbonyl)aniline hydrochloride
• IUPAC Traditional name: 2-(morpholine-4-carbonyl)aniline hydrochloride
• Synonyms: [2-(4-morpholinylcarbonyl)phenyl]amine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8730073
• LogD (pH = 7.4): 0.8738017
• Log P: 0.87381184
• Molar Refractivity: 58.7047 cm^3
• Polarizability: 21.641861 Å^3
• Polar Surface Area: 55.56 Å^2