tert-butyl morpholine-4-carboxylate

• ChemBase ID: 293180
• Molecular Formular: C9H17NO3
• Molecular Mass: 187.23618
• Monoisotopic Mass: 187.12084341
• SMILES: O=C(N1CCOCC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCOCC1)OC(C)(C)C
• InChI: InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-4-6-12-7-5-10/h4-7H2,1-3H3
• InChIKey: JDDPITNKUXPLSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl morpholine-4-carboxylate
• IUPAC Traditional name: tert-butyl morpholine-4-carboxylate
• Synonyms: tert-Butyl morpholine-4-carboxylate

Database IDs

• CAS Number: 220199-85-9
• MDL Number: MFCD11111782
• PubChem SID: 180678711
• PubChem CID: 11435389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.87181413
• LogD (pH = 7.4): 0.87181413
• Log P: 0.87181413
• Molar Refractivity: 48.763 cm^3
• Polarizability: 19.212313 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%