tert-butyl 2-methylmorpholine-4-carboxylate

• ChemBase ID: 292738
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: CC1CN(CCO1)C(=O)OC(C)(C)C
• Canonical SMILES: CC1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19NO3/c1-8-7-11(5-6-13-8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3
• InChIKey: SNCYGCVDBMVSBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-methylmorpholine-4-carboxylate
• IUPAC Traditional name: tert-butyl 2-methylmorpholine-4-carboxylate
• Synonyms: tert-Butyl 2-methylmorpholine-4-carboxylate

Database IDs

• CAS Number: 1062174-58-6
• PubChem SID: 180678269
• PubChem CID: 23562637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2883892
• LogD (pH = 7.4): 1.2883892
• Log P: 1.2883892
• Molar Refractivity: 53.1818 cm^3
• Polarizability: 21.043314 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%