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65300-53-0 molecular structure
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4-[2-(4-nitrophenoxy)ethyl]morpholine

ChemBase ID: 41720
Molecular Formular: C12H16N2O4
Molecular Mass: 252.26644
Monoisotopic Mass: 252.111007
SMILES and InChIs

SMILES:
C1OCCN(C1)CCOc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccc(cc1)OCCN1CCOCC1
InChI:
InChI=1S/C12H16N2O4/c15-14(16)11-1-3-12(4-2-11)18-10-7-13-5-8-17-9-6-13/h1-4H,5-10H2
InChIKey:
BERKHGFFGHNCSO-UHFFFAOYSA-N

Cite this record

CBID:41720 http://www.chembase.cn/molecule-41720.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(4-nitrophenoxy)ethyl]morpholine
IUPAC Traditional name
4-[2-(4-nitrophenoxy)ethyl]morpholine
Synonyms
4-[2-(4-Nitrophenoxy)ethyl]morpholine
4-[2-(4-Nitrophenoxy)ethyl]morpholine 98%
4-[2-(4-Nitrophenoxy)ethyl]morpholine
4-(2-(4-Nitrophenoxy)ethyl)Morpholine
4-[2-(4-硝基苯氧基)乙基吗啉
CAS Number
65300-53-0
MDL Number
MFCD00434241
PubChem SID
162046483
PubChem CID
800881

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.66419685  LogD (pH = 7.4) 1.520011 
Log P 1.5557028  Molar Refractivity 65.9353 cm3
Polarizability 25.444267 Å3 Polar Surface Area 64.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
79-80°C expand Show data source
80 - 82 °C expand Show data source
80-82°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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