4-(3-aminophenyl)morpholin-3-one

• ChemBase ID: 815676
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C1(=O)COCCN1c1cc(ccc1)N
• Canonical SMILES: Nc1cccc(c1)N1CCOCC1=O
• InChI: InChI=1S/C10H12N2O2/c11-8-2-1-3-9(6-8)12-4-5-14-7-10(12)13/h1-3,6H,4-5,7,11H2
• InChIKey: IABQKUMPNMOSKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-aminophenyl)morpholin-3-one
• IUPAC Traditional name: 4-(3-aminophenyl)morpholin-3-one
• Synonyms: 4-(3-aminophenyl)morpholin-3-one

Database IDs

• CAS Number: 1082495-22-4

CALCULATED PROPERTIES

• Acid pKa: 15.855349
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10953269
• LogD (pH = 7.4): -0.09967732
• Log P: -0.09955019
• Molar Refractivity: 53.2217 cm^3
• Polarizability: 20.005512 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%