tert-butyl N-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl)carbamate

• ChemBase ID: 162535
• Molecular Formular: C13H27NO6
• Molecular Mass: 293.35658
• Monoisotopic Mass: 293.18383759
• SMILES: OCCOCCOCCOCCNC(=O)OC(C)(C)C
• Canonical SMILES: OCCOCCOCCOCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C13H27NO6/c1-13(2,3)20-12(16)14-4-6-17-8-10-19-11-9-18-7-5-15/h15H,4-11H2,1-3H3,(H,14,16)
• InChIKey: XKKDQIAPTPFIGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl)carbamate
• Synonyms: (2-{2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy}-ethyl)-carbamic Acid tert-Butyl Ester; 1-Boc-amino-3,6,9-trioxaundecanyl-11-ol

Database IDs

• CAS Number: 106984-09-2
• PubChem SID: 162256670
• PubChem CID: 10968359

CALCULATED PROPERTIES

• Acid pKa: 14.459115
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.035609983
• LogD (pH = 7.4): 0.03560995
• Log P: 0.035609983
• Molar Refractivity: 74.2146 cm^3
• Polarizability: 29.37796 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Yellow Oil

Safety Information

• Storage Condition: -20°C Freezer