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1227465-74-8 molecular structure
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9-ethyl-2,9-diazaspiro[5.5]undecane

ChemBase ID: 309292
Molecular Formular: C11H22N2
Molecular Mass: 182.30578
Monoisotopic Mass: 182.17829871
SMILES and InChIs

SMILES:
N1(CCC2(CC1)CNCCC2)CC
Canonical SMILES:
CCN1CCC2(CC1)CCCNC2
InChI:
InChI=1S/C11H22N2/c1-2-13-8-5-11(6-9-13)4-3-7-12-10-11/h12H,2-10H2,1H3
InChIKey:
NTLOBCCYUKSOHP-UHFFFAOYSA-N

Cite this record

CBID:309292 http://www.chembase.cn/molecule-309292.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-ethyl-2,9-diazaspiro[5.5]undecane
IUPAC Traditional name
9-ethyl-2,9-diazaspiro[5.5]undecane
Synonyms
9-ethyl-2,9-diazaspiro[5.5]undecane
CAS Number
1227465-74-8
MDL Number
MFCD16556125

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.6779494  LogD (pH = 7.4) -4.2275133 
Log P 1.000373  Molar Refractivity 56.9786 cm3
Polarizability 22.610828 Å3 Polar Surface Area 15.27 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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