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336191-17-4 molecular structure
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tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

ChemBase ID: 39684
Molecular Formular: C13H24N2O2
Molecular Mass: 240.34186
Monoisotopic Mass: 240.18377802
SMILES and InChIs

SMILES:
C(=O)(N1CC2(CC1)CCNCC2)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC2(C1)CCNCC2)OC(C)(C)C
InChI:
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3
InChIKey:
NFNCPNAVNRBDOU-UHFFFAOYSA-N

Cite this record

CBID:39684 http://www.chembase.cn/molecule-39684.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-2-carboxylate
IUPAC Traditional name
tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
Synonyms
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
2,8-Diazaspiro[4.5]decane, N2-BOC protected
2-Boc-2,8-Diazaspiro[4.5]decane
CAS Number
336191-17-4
MDL Number
MFCD06739056
PubChem SID
161002991
PubChem CID
34178604

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.120859  LogD (pH = 7.4) -1.4334505 
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
Oil expand Show data source
Storage Condition
Store under N2 at 4°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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
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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