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535924-73-3 molecular structure
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3-ethoxyazetidine hydrochloride

ChemBase ID: 293268
Molecular Formular: C5H12ClNO
Molecular Mass: 137.60788
Monoisotopic Mass: 137.06074169
SMILES and InChIs

SMILES:
CCOC1CNC1.Cl
Canonical SMILES:
CCOC1CNC1.Cl
InChI:
InChI=1S/C5H11NO.ClH/c1-2-7-5-3-6-4-5;/h5-6H,2-4H2,1H3;1H
InChIKey:
FZVFBLJKNJAJNI-UHFFFAOYSA-N

Cite this record

CBID:293268 http://www.chembase.cn/molecule-293268.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethoxyazetidine hydrochloride
IUPAC Traditional name
3-ethoxyazetidine hydrochloride
Synonyms
3-Ethoxyazetidine hydrochloride
3-ETHOXY-AZETIDINE HYDROCHLORIDE
CAS Number
535924-73-3
PubChem SID
180678799
PubChem CID
22507732

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22507732 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.950129  LogD (pH = 7.4) -1.3778121 
Log P 0.0051961015  Molar Refractivity 28.1867 cm3
Polarizability 11.428371 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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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