4-ethylmorpholine-2-carbonitrile

• ChemBase ID: 275472
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: N#CC1OCCN(C1)CC
• Canonical SMILES: CCN1CC(OCC1)C#N
• InChI: InChI=1S/C7H12N2O/c1-2-9-3-4-10-7(5-8)6-9/h7H,2-4,6H2,1H3
• InChIKey: AEPGUCGTPTXSPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylmorpholine-2-carbonitrile
• IUPAC Traditional name: 4-ethylmorpholine-2-carbonitrile
• Synonyms: 4-ethylmorpholine-2-carbonitrile

Database IDs

• MDL Number: MFCD20441511
• PubChem SID: 164331382
• PubChem CID: 54593697

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.061709564
• LogD (pH = 7.4): 0.07432365
• Log P: 0.07636543
• Molar Refractivity: 38.6204 cm^3
• Polarizability: 14.962807 Å^3
• Polar Surface Area: 36.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.048

Product Information

• Purity: 95%