tert-butyl 2-formylmorpholine-4-carboxylate

• ChemBase ID: 309425
• Molecular Formular: C10H17NO4
• Molecular Mass: 215.24628
• Monoisotopic Mass: 215.11575803
• SMILES: C(=O)(N1CC(OCC1)C=O)OC(C)(C)C
• Canonical SMILES: O=CC1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h7-8H,4-6H2,1-3H3
• InChIKey: LWKMTSRRGUVABD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-formylmorpholine-4-carboxylate
• IUPAC Traditional name: tert-butyl 2-formylmorpholine-4-carboxylate
• Synonyms: N-Boc-2-Morpholinecarbaldehyde; tert-butyl 2-formyl-4-morpholinecarboxylate

Database IDs

• CAS Number: 218594-02-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40313748
• LogD (pH = 7.4): 0.40313748
• Log P: 0.40313748
• Molar Refractivity: 53.6675 cm^3
• Polarizability: 21.170666 Å^3
• Polar Surface Area: 55.84 Å^2
• Acid pKa: 17.096312
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%