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1245816-31-2 molecular structure
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tert-butyl 2-oxa-6-azaspiro[3.4]octane-6-carboxylate

ChemBase ID: 61716
Molecular Formular: C11H19NO3
Molecular Mass: 213.27346
Monoisotopic Mass: 213.13649347
SMILES and InChIs

SMILES:
C1OCC21CN(CC2)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC2(C1)COC2)OC(C)(C)C
InChI:
InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-5-4-11(6-12)7-14-8-11/h4-8H2,1-3H3
InChIKey:
ACMASIMZBDTNIZ-UHFFFAOYSA-N

Cite this record

CBID:61716 http://www.chembase.cn/molecule-61716.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 2-oxa-6-azaspiro[3.4]octane-6-carboxylate
IUPAC Traditional name
tert-butyl 2-oxa-6-azaspiro[3.4]octane-6-carboxylate
Synonyms
2-Oxa-6-azaspiro[3.4]octane-6-carboxylic acid tert-butyl ester
CAS Number
1245816-31-2
MDL Number
MFCD18325160
PubChem SID
162027457
PubChem CID
54758970

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
066970 external link Add to cart Please log in.
Data Source Data ID
PubChem 54758970 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.839247  LogD (pH = 7.4) 0.839247 
Log P 0.839247  Molar Refractivity 56.1385 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
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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