tert-butyl N-(2-hydroxyethyl)-N-phenylcarbamate

• ChemBase ID: 797635
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: OCCN(c1ccccc1)C(=O)OC(C)(C)C
• Canonical SMILES: OCCN(c1ccccc1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(9-10-15)11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3
• InChIKey: GYRDREFSISCMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-hydroxyethyl)-N-phenylcarbamate
• IUPAC Traditional name: tert-butyl N-(2-hydroxyethyl)-N-phenylcarbamate
• Synonyms: Boc-L-phenylglycinol

Database IDs

• CAS Number: 117049-14-6

CALCULATED PROPERTIES

• Acid pKa: 15.555436
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.058171
• LogD (pH = 7.4): 2.058171
• Log P: 2.058171
• Molar Refractivity: 65.7584 cm^3
• Polarizability: 25.727182 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%