2-ethylmorpholine hydrochloride

• ChemBase ID: 264625
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: N1CC(OCC1)CC.Cl
• Canonical SMILES: CCC1CNCCO1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-2-6-5-7-3-4-8-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: XCQXIJLYGHPCNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705612
• PubChem SID: 164320535
• PubChem CID: 18793438

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

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 0.64

Product Information

• Purity: 95%