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285-59-6 molecular structure
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3-azabicyclo[3.1.0]hexane

ChemBase ID: 260873
Molecular Formular: C5H9N
Molecular Mass: 83.13166
Monoisotopic Mass: 83.07349929
SMILES and InChIs

SMILES:
C1C2C1CNC2
Canonical SMILES:
N1CC2C(C1)C2
InChI:
InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2
InChIKey:
HGWUUOXXAIISDB-UHFFFAOYSA-N

Cite this record

CBID:260873 http://www.chembase.cn/molecule-260873.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-azabicyclo[3.1.0]hexane
IUPAC Traditional name
3-azabicyclo[3.1.0]hexane
Synonyms
3-azabicyclo[3.1.0]hexane
CAS Number
285-59-6
MDL Number
MFCD10696889
PubChem SID
164316783
PubChem CID
13150523

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13150523 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.205943  LogD (pH = 7.4) -3.1014907 
Log P 0.03457008  Molar Refractivity 24.7744 cm3
Polarizability 10.013423 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)
0.131 expand Show data source
Purity
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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