ethyl 2-methyl-2-(methylamino)propanoate

• ChemBase ID: 273855
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(C(NC)(C)C)OCC
• Canonical SMILES: CCOC(=O)C(NC)(C)C
• InChI: InChI=1S/C7H15NO2/c1-5-10-6(9)7(2,3)8-4/h8H,5H2,1-4H3
• InChIKey: SKMOVBQSXGOGOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-methyl-2-(methylamino)propanoate
• IUPAC Traditional name: ethyl 2-methyl-2-(methylamino)propanoate
• Synonyms: ethyl 2-methyl-2-(methylamino)propanoate

Database IDs

• MDL Number: MFCD10566156
• PubChem SID: 164329765
• PubChem CID: 12634159

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3943886
• LogD (pH = 7.4): 0.717065
• Log P: 0.789337
• Molar Refractivity: 39.5029 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.74

Product Information

• Purity: 95%