2-ethylmorpholine

• ChemBase ID: 57189
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1CNCC(O1)CC
• Canonical SMILES: CCC1CNCCO1
• InChI: InChI=1S/C6H13NO/c1-2-6-5-7-3-4-8-6/h6-7H,2-5H2,1H3
• InChIKey: RGNFMQJLAOONTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylmorpholine
• IUPAC Traditional name: 2-ethylmorpholine
• Synonyms: 2-Ethylmorpholine

Database IDs

• CAS Number: 52769-10-5
• MDL Number: MFCD09054776
• PubChem SID: 162061952
• PubChem CID: 14933206

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.347151
• LogD (pH = 7.4): -0.7116671
• Log P: 0.5277185
• Molar Refractivity: 32.7107 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.64

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%; 98%