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1246815-04-2 molecular structure
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(2R)-2-[2-(2H5)ethoxyphenoxymethyl]morpholine hydrochloride

ChemBase ID: 179500
Molecular Formular: C13H20ClNO3
Molecular Mass: 273.7558
Monoisotopic Mass: 273.11317119
SMILES and InChIs

SMILES:
c1cccc(c1OCC)OC[C@H]1CNCCO1.Cl
Canonical SMILES:
CCOc1ccccc1OC[C@H]1CNCCO1.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/t11-;/m1./s1
InChIKey:
HJOCKFVCMLCPTP-RFVHGSKJSA-N

Cite this record

CBID:179500 http://www.chembase.cn/molecule-179500.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-[2-(2H5)ethoxyphenoxymethyl]morpholine hydrochloride
IUPAC Traditional name
(2R)-2-[2-(2H5)ethoxyphenoxymethyl]morpholine hydrochloride
Synonyms
(R)-2-[((2-Ethoxy-d5)phenoxy)methyl]morpholine Hydrochloride
(R)-2-[(2-Ethoxy-d5)phenoxymethyl]tetrahydro-1,4-oxazine Hydrochloride
(R)-Viloxazine-d5 Hydrochloride
CAS Number
1246815-04-2
PubChem SID
164235410
PubChem CID
71752943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC V312452 external link Add to cart
PubChem 71752943 external link
Data Source Data ID Price
TRC
V312452 external link Add to cart Please log in.
Data Source Data ID
PubChem 71752943 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 26.06331 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
White Solid expand Show data source
Melting Point
163-165°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - V312452 external link
The labelled (R)-isomer of Viloxazine (V312440). Antidepressant.

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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