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1264635-65-5 molecular structure
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tert-butyl 1-oxa-6-azaspiro[3.4]octane-6-carboxylate

ChemBase ID: 61711
Molecular Formular: C11H19NO3
Molecular Mass: 213.27346
Monoisotopic Mass: 213.13649347
SMILES and InChIs

SMILES:
O1CCC21CN(CC2)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC2(C1)CCO2)OC(C)(C)C
InChI:
InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-11(8-12)5-7-14-11/h4-8H2,1-3H3
InChIKey:
PRHMPBQWFJKGJW-UHFFFAOYSA-N

Cite this record

CBID:61711 http://www.chembase.cn/molecule-61711.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 1-oxa-6-azaspiro[3.4]octane-6-carboxylate
IUPAC Traditional name
tert-butyl 1-oxa-6-azaspiro[3.4]octane-6-carboxylate
Synonyms
1-Oxa-6-azaspiro[3.4]octane-6-carboxylic acid tert-butyl ester
CAS Number
1264635-65-5
MDL Number
MFCD18782888
PubChem SID
162027452
PubChem CID
56773880

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 56773880 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.80374444  LogD (pH = 7.4) 0.80374444 
Log P 0.80374444  Molar Refractivity 56.0846 cm3
Polarizability 22.159397 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
MSDS Link
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TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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