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

• ChemBase ID: 33098
• Molecular Formular: C11H22N2O3
• Molecular Mass: 230.30398
• Monoisotopic Mass: 230.16304257
• SMILES: C(=O)(OC(C)(C)C)NCCC1OCCNC1
• Canonical SMILES: O=C(OC(C)(C)C)NCCC1OCCNC1
• InChI: InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-4-9-8-12-6-7-15-9/h9,12H,4-8H2,1-3H3,(H,13,14)
• InChIKey: JXZNAZXFHKPBMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[2-(morpholin-2-yl)ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[2-(morpholin-2-yl)ethyl]carbamate
• Synonyms: tert-butyl (2-morpholin-2-ylethyl)carbamate; tert-Butyl 2-morpholin-2-ylethylcarbamate

Database IDs

• CAS Number: 1032507-63-3
• MDL Number: MFCD09701685
• PubChem SID: 160996405
• PubChem CID: 25219056

CALCULATED PROPERTIES

• Acid pKa: 15.739453
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.274519
• LogD (pH = 7.4): -0.55974865
• Log P: 0.40346146
• Molar Refractivity: 61.1263 cm^3
• Polarizability: 24.405922 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false