(4-phenylmorpholin-2-yl)methanamine

• ChemBase ID: 811099
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: NCC1CN(CCO1)c1ccccc1
• Canonical SMILES: NCC1OCCN(C1)c1ccccc1
• InChI: InChI=1S/C11H16N2O/c12-8-11-9-13(6-7-14-11)10-4-2-1-3-5-10/h1-5,11H,6-9,12H2
• InChIKey: YAKKATWFMLCGMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-phenylmorpholin-2-yl)methanamine
• IUPAC Traditional name: (4-phenylmorpholin-2-yl)methanamine
• Synonyms: C-(4-PHENYL-MORPHOLIN-2-YL)-METHYLAMINE

Database IDs

• CAS Number: 112913-99-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8019775
• LogD (pH = 7.4): -0.5567081
• Log P: 1.1255724
• Molar Refractivity: 57.1811 cm^3
• Polarizability: 22.169203 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%