ethyl ethanecarboximidate

• ChemBase ID: 59257
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: C(=N)(OCC)C
• Canonical SMILES: CCOC(=N)C
• InChI: InChI=1S/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3
• InChIKey: JMIAPORGEDIDLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl ethanecarboximidate
• IUPAC Traditional name: ethyl ethanecarboximidate
• Synonyms: Ethyl ethanimidoate

Database IDs

• CAS Number: 2208-07-3
• MDL Number: MFCD00297109
• PubChem SID: 162064020
• PubChem CID: 65066

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6532801
• LogD (pH = 7.4): -0.052394234
• Log P: 0.25895116
• Molar Refractivity: 34.9023 cm^3
• Polarizability: 9.519445 Å^3
• Polar Surface Area: 33.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false