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10389-51-2 molecular structure
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4-(4-nitrophenyl)morpholine

ChemBase ID: 66489
Molecular Formular: C10H12N2O3
Molecular Mass: 208.21388
Monoisotopic Mass: 208.08479225
SMILES and InChIs

SMILES:
N1(CCOCC1)c1ccc(cc1)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCOCC1
InChI:
InChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKey:
IAJDSUYFELYZCS-UHFFFAOYSA-N

Cite this record

CBID:66489 http://www.chembase.cn/molecule-66489.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-nitrophenyl)morpholine
IUPAC Traditional name
morpholine, 4-(4-nitrophenyl)-
Synonyms
4-(4-Nitrophenyl)morpholine
1-(4-Morpholinyl)-4-nitrobenzene
4-(4-Nitrophenyl)morpholine
4-(4-硝基苯基)吗啉
CAS Number
10389-51-2
EC Number
233-851-3
MDL Number
MFCD00023317
PubChem SID
162032227
PubChem CID
25222

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8027734  LogD (pH = 7.4) 1.8027734 
Log P 1.8027734  Molar Refractivity 55.8816 cm3
Polarizability 20.696934 Å3 Polar Surface Area 55.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
148-152°C expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
QE7405000 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
90% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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