3-(morpholine-4-carbonyl)aniline

• ChemBase ID: 17729
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: c1(C(=O)N2CCOCC2)cc(ccc1)N
• Canonical SMILES: Nc1cccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
• InChIKey: RFFVEVKGZGRRCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholine-4-carbonyl)aniline
• IUPAC Traditional name: 3-(morpholine-4-carbonyl)aniline
• Synonyms: (3-Amino-phenyl)-morpholin-4-yl-methanone; (3-Aminophenyl)(morpholino)methanone; 3-(morpholin-4-ylcarbonyl)aniline

Database IDs

• CAS Number: 104775-65-7
• MDL Number: MFCD00523626
• PubChem SID: 160981036
• PubChem CID: 6485064

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.22160111
• LogD (pH = 7.4): 0.22378394
• Log P: 0.22381184
• Molar Refractivity: 58.7047 cm^3
• Polarizability: 21.640812 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 0.055

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%