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35604-67-2 molecular structure
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2-(2-ethoxyphenoxymethyl)morpholine hydrochloride

ChemBase ID: 53284
Molecular Formular: C13H20ClNO3
Molecular Mass: 273.7558
Monoisotopic Mass: 273.11317119
SMILES and InChIs

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

Cite this record

CBID:53284 http://www.chembase.cn/molecule-53284.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
35604-67-2
MDL Number
MFCD00661100
PubChem SID
162058047
PubChem CID
71424

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71424 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0954765  LogD (pH = 7.4) 0.6339135 
Log P 1.4915744  Molar Refractivity 65.2021 cm3
Polarizability 26.06253 Å3 Polar Surface Area 39.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
178-180°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Howe, R., et al.: J. Med. Chem., 19, 1074 (1976)
  • • Pinder, R.M., et al.: Drugs, 13, 401 (1976)
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PATENTS

PATENTS

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INTERNET

INTERNET

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