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22766-61-6 molecular structure
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1-azabicyclo[2.2.2]octan-4-amine

ChemBase ID: 796068
Molecular Formular: C7H14N2
Molecular Mass: 126.19946
Monoisotopic Mass: 126.11569846
SMILES and InChIs

SMILES:
N12CCC(CC1)(CC2)N
Canonical SMILES:
NC12CCN(CC1)CC2
InChI:
InChI=1S/C7H14N2/c8-7-1-4-9(5-2-7)6-3-7/h1-6,8H2
InChIKey:
DBPHZCRAKOJSMX-UHFFFAOYSA-N

Cite this record

CBID:796068 http://www.chembase.cn/molecule-796068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-azabicyclo[2.2.2]octan-4-amine
IUPAC Traditional name
1-azabicyclo[2.2.2]octan-4-amine
Synonyms
1-Azabicyclo[2.2.2]octan-4-amine
CAS Number
22766-61-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1344 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1344 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.9707875  LogD (pH = 7.4) -5.1622224 
Log P -0.78644925  Molar Refractivity 38.1559 cm3
Polarizability 15.227027 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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