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1086395-66-5 molecular structure
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2-methyl-2,7-diazaspiro[4.5]decane

ChemBase ID: 309224
Molecular Formular: C9H18N2
Molecular Mass: 154.25262
Monoisotopic Mass: 154.14699859
SMILES and InChIs

SMILES:
N1(CC2(CC1)CNCCC2)C
Canonical SMILES:
CN1CCC2(C1)CCCNC2
InChI:
InChI=1S/C9H18N2/c1-11-6-4-9(8-11)3-2-5-10-7-9/h10H,2-8H2,1H3
InChIKey:
BASGGIUQFOKXEP-UHFFFAOYSA-N

Cite this record

CBID:309224 http://www.chembase.cn/molecule-309224.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2,7-diazaspiro[4.5]decane
IUPAC Traditional name
2-methyl-2,7-diazaspiro[4.5]decane
Synonyms
2-methyl-2,7-diazaspiro[4.5]decane
CAS Number
1086395-66-5
MDL Number
MFCD11053747

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.466872  LogD (pH = 7.4) -3.267756 
Log P 0.35490382  Molar Refractivity 47.475 cm3
Polarizability 18.918522 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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