N-phenylmorpholine-2-carboxamide hydrochloride

• ChemBase ID: 62252
• Molecular Formular: C11H15ClN2O2
• Molecular Mass: 242.702
• Monoisotopic Mass: 242.08220541
• SMILES: C(=O)(C1OCCNC1)Nc1ccccc1.Cl
• Canonical SMILES: O=C(C1OCCNC1)Nc1ccccc1.Cl
• InChI: InChI=1S/C11H14N2O2.ClH/c14-11(10-8-12-6-7-15-10)13-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2,(H,13,14);1H
• InChIKey: ZWNNIEXKCHKUQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylmorpholine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-phenylmorpholine-2-carboxamide hydrochloride
• Synonyms: Morpholine-2-carboxylic acid phenylamide hydrochloride

Database IDs

• MDL Number: MFCD16621946
• PubChem SID: 162027991
• PubChem CID: 71298616

CALCULATED PROPERTIES

• Acid pKa: 12.820879
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4803025
• LogD (pH = 7.4): 0.2160463
• Log P: 0.71286255
• Molar Refractivity: 57.8751 cm^3
• Polarizability: 22.223387 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false