N-(4-aminophenyl)-2-(morpholin-4-yl)acetamide

• ChemBase ID: 123796
• Molecular Formular: C12H17N3O2
• Molecular Mass: 235.28228
• Monoisotopic Mass: 235.1320768
• SMILES: C(=O)(Nc1ccc(N)cc1)CN1CCOCC1
• Canonical SMILES: O=C(Nc1ccc(cc1)N)CN1CCOCC1
• InChI: InChI=1S/C12H17N3O2/c13-10-1-3-11(4-2-10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9,13H2,(H,14,16)
• InChIKey: STBXWCPKHDZQSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-(morpholin-4-yl)acetamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-(morpholin-4-yl)acetamide
• Synonyms: N-(4-aminophenyl)-2-morpholinoacetamide; N-(4-aminophenyl)-2-morpholin-4-ylacetamide

Database IDs

• CAS Number: 105076-76-4
• MDL Number: MFCD03274587
• PubChem SID: 162218149
• PubChem CID: 16227712

CALCULATED PROPERTIES

• Acid pKa: 14.945869
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.14982143
• LogD (pH = 7.4): 0.051789105
• Log P: 0.055028267
• Molar Refractivity: 68.1249 cm^3
• Polarizability: 25.208687 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.065

Product Information

• Purity: 95%