(3S)-3-ethylmorpholine

• ChemBase ID: 90619
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1[C@H](COCC1)CC
• Canonical SMILES: CC[C@H]1COCCN1
• InChI: InChI=1S/C6H13NO/c1-2-6-5-8-4-3-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
• InChIKey: JBQWQBSRIAGTJT-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-ethylmorpholine
• IUPAC Traditional name: (3S)-3-ethylmorpholine
• Synonyms: (3S)-3-Ethylmorpholine

Database IDs

• CAS Number: 748117-01-3
• PubChem SID: 162077409
• PubChem CID: 28064334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3998902
• LogD (pH = 7.4): -0.8028424
• 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

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Air Sensitive/Store under Argon