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674792-08-6 molecular structure
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tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate

ChemBase ID: 288799
Molecular Formular: C11H20N2O2
Molecular Mass: 212.2887
Monoisotopic Mass: 212.15247789
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)N1CCNCC21CC2
Canonical SMILES:
O=C(N1CCNCC21CC2)OC(C)(C)C
InChI:
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-6-12-8-11(13)4-5-11/h12H,4-8H2,1-3H3
InChIKey:
XNLYPHAMXHERHS-UHFFFAOYSA-N

Cite this record

CBID:288799 http://www.chembase.cn/molecule-288799.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate
IUPAC Traditional name
tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate
Synonyms
4-Boc-4,7-diazaspiro[2.5]octane
4,7-DIAZA-SPIRO[2.5]OCTANE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number
674792-08-6
MDL Number
MFCD08685932
PubChem SID
180674330
PubChem CID
51358567

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 51358567 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4593625  LogD (pH = 7.4) 0.27164423 
Log P 0.9437195  Molar Refractivity 57.5447 cm3
Polarizability 22.96912 Å3 Polar Surface Area 41.57 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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