N-(2-cyanoethyl)-N-ethylacetamide

• ChemBase ID: 273298
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: N#CCCN(C(=O)C)CC
• Canonical SMILES: N#CCCN(C(=O)C)CC
• InChI: InChI=1S/C7H12N2O/c1-3-9(7(2)10)6-4-5-8/h3-4,6H2,1-2H3
• InChIKey: FUPJECGLLNCKMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-cyanoethyl)-N-ethylacetamide
• IUPAC Traditional name: N-(2-cyanoethyl)-N-ethylacetamide
• Synonyms: N-(2-cyanoethyl)-N-ethylacetamide

Database IDs

• MDL Number: MFCD16049476
• PubChem SID: 164329208
• PubChem CID: 59218647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.45318368
• LogD (pH = 7.4): -0.45318332
• Log P: -0.45318332
• Molar Refractivity: 38.7712 cm^3
• Polarizability: 14.688971 Å^3
• Polar Surface Area: 44.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.201

Product Information

• Purity: 95%