tert-butyl N-[1-(morpholin-2-yl)ethyl]carbamate

• ChemBase ID: 238427
• Molecular Formular: C11H22N2O3
• Molecular Mass: 230.30398
• Monoisotopic Mass: 230.16304257
• SMILES: C(=O)(NC(C1OCCNC1)C)OC(C)(C)C
• Canonical SMILES: CC(C1OCCNC1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O3/c1-8(9-7-12-5-6-15-9)13-10(14)16-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
• InChIKey: CSBAYRDPGXSOBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[1-(morpholin-2-yl)ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[1-(morpholin-2-yl)ethyl]carbamate
• Synonyms: tert-butyl N-[1-(morpholin-2-yl)ethyl]carbamate

Database IDs

• MDL Number: MFCD22375391
• PubChem SID: 164294337
• PubChem CID: 71756172

CALCULATED PROPERTIES

• Acid pKa: 14.525489
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9491673
• LogD (pH = 7.4): -0.24205972
• Log P: 0.76007676
• Molar Refractivity: 60.6797 cm^3
• Polarizability: 24.405922 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.09

Product Information

• Purity: 95%