tert-butyl N-[2-(morpholin-4-yl)-2-oxoethyl]carbamate

• ChemBase ID: 42258
• Molecular Formular: C11H20N2O4
• Molecular Mass: 244.2875
• Monoisotopic Mass: 244.14230713
• SMILES: N1(C(=O)CNC(=O)OC(C)(C)C)CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)12-8-9(14)13-4-6-16-7-5-13/h4-8H2,1-3H3,(H,12,15)
• InChIKey: FFJJMXIKWJWZBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[2-(morpholin-4-yl)-2-oxoethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[2-(morpholin-4-yl)-2-oxoethyl]carbamate
• Synonyms: tert-Butyl N-(2-morpholino-2-oxoethyl)carbamate

Database IDs

• CAS Number: 114703-81-0
• MDL Number: MFCD07366739
• PubChem SID: 162047021
• PubChem CID: 10538259

CALCULATED PROPERTIES

• Acid pKa: 13.676142
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.23346911
• LogD (pH = 7.4): -0.2334693
• Log P: -0.2334691
• Molar Refractivity: 61.5665 cm^3
• Polarizability: 24.156326 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%