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22776-74-5 molecular structure
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4-azatricyclo[4.3.1.13,8]undecane

ChemBase ID: 261634
Molecular Formular: C10H17N
Molecular Mass: 151.24868
Monoisotopic Mass: 151.13609955
SMILES and InChIs

SMILES:
N1C2CC3CC(C2)CC(C3)C1
Canonical SMILES:
C1NC2CC3CC1CC(C2)C3
InChI:
InChI=1S/C10H17N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9/h7-11H,1-6H2
InChIKey:
CRKHNIDATUGNFE-UHFFFAOYSA-N

Cite this record

CBID:261634 http://www.chembase.cn/molecule-261634.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-azatricyclo[4.3.1.13,8]undecane
IUPAC Traditional name
4-azatricyclo[4.3.1.13,8]undecane
Synonyms
4-azatricyclo[4.3.1.1^{3,8}]undecane
4-azatricyclo[4.3.1.1~3,8~]undecane
CAS Number
22776-74-5
MDL Number
MFCD09038706
PubChem SID
164317544
PubChem CID
32272

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 32272 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6304983  LogD (pH = 7.4) -1.4243109 
Log P 1.6081443  Molar Refractivity 45.7426 cm3
Polarizability 18.504875 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)
2.382 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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