[3-(morpholine-4-carbonyl)phenyl]methanamine

• ChemBase ID: 264029
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: C(=O)(N1CCOCC1)c1cc(CN)ccc1
• Canonical SMILES: NCc1cccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C12H16N2O2/c13-9-10-2-1-3-11(8-10)12(15)14-4-6-16-7-5-14/h1-3,8H,4-7,9,13H2
• InChIKey: YIQLNDBCIPRMNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholine-4-carbonyl)phenyl]methanamine
• IUPAC Traditional name: [3-(morpholine-4-carbonyl)phenyl]methanamine
• Synonyms: [3-(morpholin-4-ylcarbonyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD09049568
• PubChem SID: 164319939
• PubChem CID: 16777119

CALCULATED PROPERTIES

• Log P: 0.17850623
• Molar Refractivity: 62.4777 cm^3
• Polarizability: 23.853466 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7291043
• LogD (pH = 7.4): -1.4235203

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.276

Product Information

• Purity: 95%