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77605-88-0 molecular structure
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5-ethylmorpholin-3-one

ChemBase ID: 308116
Molecular Formular: C6H11NO2
Molecular Mass: 129.15704
Monoisotopic Mass: 129.0789786
SMILES and InChIs

SMILES:
N1C(=O)COCC1CC
Canonical SMILES:
CCC1COCC(=O)N1
InChI:
InChI=1S/C6H11NO2/c1-2-5-3-9-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)
InChIKey:
CXYFOAYSBFEKMT-UHFFFAOYSA-N

Cite this record

CBID:308116 http://www.chembase.cn/molecule-308116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethylmorpholin-3-one
IUPAC Traditional name
5-ethylmorpholin-3-one
Synonyms
5-ethyl-3-morpholinone
5-ETHYLMORPHOLIN-3-ONE
CAS Number
77605-88-0
MDL Number
MFCD10686574

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.739419  Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -0.21316135 
LogD (pH = 7.4) -0.2131631  Log P -0.21316133 
Molar Refractivity 32.7898 cm3 Polarizability 12.991205 Å3
Polar Surface Area 38.33 Å2

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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