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20120-24-5 molecular structure
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ethyl 3-(morpholin-4-yl)propanoate

ChemBase ID: 301894
Molecular Formular: C9H17NO3
Molecular Mass: 187.23618
Monoisotopic Mass: 187.12084341
SMILES and InChIs

SMILES:
CCOC(=O)CCN1CCOCC1
Canonical SMILES:
CCOC(=O)CCN1CCOCC1
InChI:
InChI=1S/C9H17NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h2-8H2,1H3
InChIKey:
WRBIQTVRBWJCQT-UHFFFAOYSA-N

Cite this record

CBID:301894 http://www.chembase.cn/molecule-301894.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-(morpholin-4-yl)propanoate
IUPAC Traditional name
ethyl 3-(morpholin-4-yl)propanoate
Synonyms
3-(4-Morpholinyl)propionic acid ethyl ester
Ethyl 3-(4-morpholinyl)propionate
3-(4-吗啉代)丙酸乙酯
CAS Number
20120-24-5
EC Number
243-526-8
MDL Number
MFCD00014622
Beilstein Number
138843

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0659277  LogD (pH = 7.4) 0.1047308 
Log P 0.18936707  Molar Refractivity 49.3643 cm3
Polarizability 19.587364 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Refractive Index
1.4550 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
23-26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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