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133382-42-0 molecular structure
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1-oxa-8-azaspiro[4.5]decan-3-one hydrochloride

ChemBase ID: 293219
Molecular Formular: C8H14ClNO2
Molecular Mass: 191.65526
Monoisotopic Mass: 191.07130637
SMILES and InChIs

SMILES:
O=C1COC2(CCNCC2)C1.Cl
Canonical SMILES:
O=C1COC2(C1)CCNCC2.Cl
InChI:
InChI=1S/C8H13NO2.ClH/c10-7-5-8(11-6-7)1-3-9-4-2-8;/h9H,1-6H2;1H
InChIKey:
FNDQRJDGTZYKAB-UHFFFAOYSA-N

Cite this record

CBID:293219 http://www.chembase.cn/molecule-293219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-oxa-8-azaspiro[4.5]decan-3-one hydrochloride
IUPAC Traditional name
1-oxa-8-azaspiro[4.5]decan-3-one hydrochloride
Synonyms
1-Oxa-8-azaspiro[4.5]decan-3-one hydrochloride
CAS Number
133382-42-0
PubChem SID
180678750
PubChem CID
23356729

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD251028 Please log in.
Data Source Data ID
PubChem 23356729 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.6498  H Acceptors
H Donor LogD (pH = 5.5) -3.7754545 
LogD (pH = 7.4) -2.9992476  Log P -0.5619731 
Molar Refractivity 40.8345 cm3 Polarizability 16.31348 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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