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280-70-6 molecular structure
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3-azabicyclo[3.3.1]nonane

ChemBase ID: 282225
Molecular Formular: C8H15N
Molecular Mass: 125.2114
Monoisotopic Mass: 125.12044949
SMILES and InChIs

SMILES:
N1CC2CC(C1)CCC2
Canonical SMILES:
C1CC2CNCC(C1)C2
InChI:
InChI=1S/C8H15N/c1-2-7-4-8(3-1)6-9-5-7/h7-9H,1-6H2
InChIKey:
XAIUACHCJPWUEF-UHFFFAOYSA-N

Cite this record

CBID:282225 http://www.chembase.cn/molecule-282225.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-azabicyclo[3.3.1]nonane
IUPAC Traditional name
3-azabicyclo[3.3.1]nonane
Synonyms
3-azabicyclo[3.3.1]nonane
CAS Number
280-70-6
MDL Number
MFCD13178853
PubChem SID
180667756
PubChem CID
42603

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 42603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8674421  LogD (pH = 7.4) -1.539188 
Log P 1.3682761  Molar Refractivity 38.5774 cm3
Polarizability 15.551486 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.808 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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