2-(2-ethoxyphenoxymethyl)morpholine hydrochloride

• ChemBase ID: 53284
• Molecular Formular: C13H20ClNO3
• Molecular Mass: 273.7558
• Monoisotopic Mass: 273.11317119
• SMILES: Cl.N1CC(OCC1)COc1c(cccc1)OCC
• Canonical SMILES: CCOc1ccccc1OCC1CNCCO1.Cl
• InChI: InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H
• InChIKey: HJOCKFVCMLCPTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyphenoxymethyl)morpholine hydrochloride
• IUPAC Traditional name: viloxazine hydrochloride
• Synonyms: 2-((2-Ethoxyphenoxy)methyl)morpholine hydrochloride; (+/-)-2-(o-Ethoxyphenoxymethyl)morpholine; Catatrol; ICI 58834; Vicilan; Viloxazin Hydrochloride; Vivalan; Vivarint; Vivilan; rac Viloxazine Hydrochloride

Database IDs

• CAS Number: 35604-67-2
• MDL Number: MFCD00661100
• PubChem SID: 162058047
• PubChem CID: 71424

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0954765
• LogD (pH = 7.4): 0.6339135
• Log P: 1.4915744
• Molar Refractivity: 65.2021 cm^3
• Polarizability: 26.06253 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 178-180°C

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - V312440

Antidepressant.

REFERENCES

• Howe, R., et al.: J. Med. Chem., 19, 1074 (1976)
• Pinder, R.M., et al.: Drugs, 13, 401 (1976)