2-(morpholine-4-carbonyl)-1-benzofuran-3-amine

• ChemBase ID: 250453
• Molecular Formular: C13H14N2O3
• Molecular Mass: 246.26186
• Monoisotopic Mass: 246.10044232
• SMILES: c1(c(c2c(o1)cccc2)N)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1oc2c(c1N)cccc2)N1CCOCC1
• InChI: InChI=1S/C13H14N2O3/c14-11-9-3-1-2-4-10(9)18-12(11)13(16)15-5-7-17-8-6-15/h1-4H,5-8,14H2
• InChIKey: QYUNQEYHKHKTFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-carbonyl)-1-benzofuran-3-amine
• IUPAC Traditional name: 2-(morpholine-4-carbonyl)-1-benzofuran-3-amine
• Synonyms: 2-(morpholin-4-ylcarbonyl)-1-benzofuran-3-amine

Database IDs

• MDL Number: MFCD07348550
• PubChem SID: 164306363
• PubChem CID: 7131116

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.95293635
• LogD (pH = 7.4): 0.95293635
• Log P: 0.95293635
• Molar Refractivity: 67.4233 cm^3
• Polarizability: 26.017384 Å^3
• Polar Surface Area: 68.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 0.615

Product Information

• Purity: 95%