2-(morpholine-4-carbonyl)aniline

• ChemBase ID: 15795
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: c1ccc(c(c1)C(=O)N1CCOCC1)N
• Canonical SMILES: Nc1ccccc1C(=O)N1CCOCC1
• InChI: InChI=1S/C11H14N2O2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8,12H2
• InChIKey: LFLIOZKEABTZIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-carbonyl)aniline
• IUPAC Traditional name: 2-(morpholine-4-carbonyl)aniline
• Synonyms: 2-(4-Morpholinylcarbonyl)aniline; (2-aminophenyl)(morpholino)methanone; [2-(Morpholin-4-ylcarbonyl)phenyl]amine; 2-(morpholin-4-ylcarbonyl)aniline; 2-(4-morpholinylcarbonyl)aniline

Database IDs

• CAS Number: 39630-24-5
• MDL Number: MFCD00034763
• PubChem SID: 160979102
• PubChem CID: 726276

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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 0.055

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C11H14N2O2

DETAILS

Sigma Aldrich - CBR00070

Other Notes
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Legal Information
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