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236406-39-6 molecular structure
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tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate

ChemBase ID: 65228
Molecular Formular: C13H24N2O2
Molecular Mass: 240.34186
Monoisotopic Mass: 240.18377802
SMILES and InChIs

SMILES:
C12(CNCC1)CCN(CC2)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC2(CC1)CNCC2)OC(C)(C)C
InChI:
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13/h14H,4-10H2,1-3H3
InChIKey:
MGHFVXFMQGQAKJ-UHFFFAOYSA-N

Cite this record

CBID:65228 http://www.chembase.cn/molecule-65228.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
IUPAC Traditional name
tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
Synonyms
2,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester
8-Boc-2,8-Diazaspiro[4.5]decane
tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
CAS Number
236406-39-6
MDL Number
MFCD09608078
PubChem SID
162030967
PubChem CID
23282900

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1404605  LogD (pH = 7.4) -1.9834101 
Log P 1.0991415  Molar Refractivity 67.3294 cm3
Polarizability 26.645468 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
38 - 40°C expand Show data source
Hydrophobicity(logP)
1.881 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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