(9H-fluoren-9-yl)methyl N-(1-hydroxypropan-2-yl)carbamate

• ChemBase ID: 796696
• Molecular Formular: C18H19NO3
• Molecular Mass: 297.34836
• Monoisotopic Mass: 297.13649347
• SMILES: N(C(=O)OCC1c2ccccc2c2ccccc12)C(CO)C
• Canonical SMILES: OCC(NC(=O)OCC1c2ccccc2c2c1cccc2)C
• InChI: InChI=1S/C18H19NO3/c1-12(10-20)19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,20H,10-11H2,1H3,(H,19,21)
• InChIKey: GIZCEJUGNDJXMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-yl)methyl N-(1-hydroxypropan-2-yl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(1-hydroxypropan-2-yl)carbamate
• Synonyms: (9H-Fluoren-9-yl)Methyl (1-hydroxypropan-2-yl)carbaMate

Database IDs

• CAS Number: 161529-13-1

CALCULATED PROPERTIES

• Acid pKa: 14.452109
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7250426
• LogD (pH = 7.4): 2.7250426
• Log P: 2.7250426
• Molar Refractivity: 84.7097 cm^3
• Polarizability: 34.11852 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%