(9H-fluoren-9-yl)methyl N-{[(3S)-morpholin-3-yl]methyl}carbamate

• ChemBase ID: 814464
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: N(C(=O)OCC1c2ccccc2c2ccccc12)C[C@H]1COCCN1
• Canonical SMILES: O=C(NC[C@H]1COCCN1)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H22N2O3/c23-20(22-11-14-12-24-10-9-21-14)25-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19,21H,9-13H2,(H,22,23)/t14-/m0/s1
• InChIKey: GQGWOFOKMZWBJR-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-yl)methyl N-{[(3S)-morpholin-3-yl]methyl}carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[(3S)-morpholin-3-ylmethyl]carbamate
• Synonyms: (S)-(9H-fluoren-9-yl)methyl morpholin-3-ylmethylcarbamate

CALCULATED PROPERTIES

• Acid pKa: 15.007239
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.27198783
• LogD (pH = 7.4): 1.9708499
• Log P: 2.4754326
• Molar Refractivity: 95.4677 cm^3
• Polarizability: 38.671253 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%