(9H-fluoren-9-yl)methyl N-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}carbamate

• ChemBase ID: 806758
• Molecular Formular: C21H25NO5
• Molecular Mass: 371.4269
• Monoisotopic Mass: 371.17327291
• SMILES: N(C(=O)OCC1c2ccccc2c2ccccc12)CCOCCOCCO
• Canonical SMILES: OCCOCCOCCNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H25NO5/c23-10-12-26-14-13-25-11-9-22-21(24)27-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20,23H,9-15H2,(H,22,24)
• InChIKey: OKWGKDNHZKUFBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-yl)methyl N-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}carbamate
• Synonyms: [2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHYL]-CARBAMIC ACID 9H-FLUOREN-9-YLMETHYL ESTER

Database IDs

• CAS Number: 560088-66-6

CALCULATED PROPERTIES

• Acid pKa: 14.584278
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2145164
• LogD (pH = 7.4): 2.2145164
• Log P: 2.2145164
• Molar Refractivity: 102.3779 cm^3
• Polarizability: 41.012398 Å^3
• Polar Surface Area: 77.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%