tert-butyl N-benzyl-N-(4-hydroxybutyl)carbamate

• ChemBase ID: 307119
• Molecular Formular: C16H25NO3
• Molecular Mass: 279.3746
• Monoisotopic Mass: 279.18344367
• SMILES: C(=O)(N(Cc1ccccc1)CCCCO)OC(C)(C)C
• Canonical SMILES: OCCCCN(C(=O)OC(C)(C)C)Cc1ccccc1
• InChI: InChI=1S/C16H25NO3/c1-16(2,3)20-15(19)17(11-7-8-12-18)13-14-9-5-4-6-10-14/h4-6,9-10,18H,7-8,11-13H2,1-3H3
• InChIKey: LJWTWHZDQSLGOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-benzyl-N-(4-hydroxybutyl)carbamate
• IUPAC Traditional name: tert-butyl N-benzyl-N-(4-hydroxybutyl)carbamate
• Synonyms: tert-butyl benzyl(4-hydroxybutyl)carbamate

Database IDs

• CAS Number: 117654-86-1
• MDL Number: MFCD08059840

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.702008
• LogD (pH = 7.4): 2.702008
• Log P: 2.702008
• Molar Refractivity: 80.1034 cm^3
• Polarizability: 31.259295 Å^3
• Polar Surface Area: 49.77 Å^2