tert-butyl N-(4-hydroxy-2-phenylbutan-2-yl)carbamate

• ChemBase ID: 292071
• Molecular Formular: C15H23NO3
• Molecular Mass: 265.34802
• Monoisotopic Mass: 265.1677936
• SMILES: O=C(OC(C)(C)C)NC(CCO)(c1ccccc1)C
• Canonical SMILES: OCCC(c1ccccc1)(NC(=O)OC(C)(C)C)C
• InChI: InChI=1S/C15H23NO3/c1-14(2,3)19-13(18)16-15(4,10-11-17)12-8-6-5-7-9-12/h5-9,17H,10-11H2,1-4H3,(H,16,18)
• InChIKey: ZYSSURJBUNKAFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(4-hydroxy-2-phenylbutan-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(4-hydroxy-2-phenylbutan-2-yl)carbamate
• Synonyms: tert-Butyl (4-hydroxy-2-phenylbutan-2-yl)carbamate

Database IDs

• CAS Number: 1255574-56-1
• MDL Number: MFCD17214269
• PubChem SID: 180677602
• PubChem CID: 53217044

CALCULATED PROPERTIES

• Acid pKa: 14.261
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3013132
• LogD (pH = 7.4): 2.3013132
• Log P: 2.3013132
• Molar Refractivity: 74.8705 cm^3
• Polarizability: 29.417522 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%