ethyl 2-ethoxy-2-iminoacetate

• ChemBase ID: 288242
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: CCOC(=N)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(=N)OCC
• InChI: InChI=1S/C6H11NO3/c1-3-9-5(7)6(8)10-4-2/h7H,3-4H2,1-2H3
• InChIKey: DSHWMBCJDOGPTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethoxy-2-iminoacetate
• IUPAC Traditional name: ethyl 2-ethoxy-2-iminoacetate
• Synonyms: Ethyl 2-ethoxy-2-iminoacetate; Ethoxy-imino-acetic acid ethyl ester

Database IDs

• CAS Number: 816-27-3
• MDL Number: MFCD06797654
• PubChem SID: 180673773
• PubChem CID: 10920638

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1875204
• LogD (pH = 7.4): 1.187909
• Log P: 1.187914
• Molar Refractivity: 46.2149 cm^3
• Polarizability: 14.036099 Å^3
• Polar Surface Area: 59.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%