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25602-68-0 molecular structure
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8-azabicyclo[3.2.1]octan-3-one hydrochloride

ChemBase ID: 89217
Molecular Formular: C7H12ClNO
Molecular Mass: 161.62928
Monoisotopic Mass: 161.06074169
SMILES and InChIs

SMILES:
N1C2CC(=O)CC1CC2.Cl
Canonical SMILES:
O=C1CC2CCC(C1)N2.Cl
InChI:
InChI=1S/C7H11NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-6,8H,1-4H2;1H
InChIKey:
MZQWQFWRSDNBPV-UHFFFAOYSA-N

Cite this record

CBID:89217 http://www.chembase.cn/molecule-89217.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-azabicyclo[3.2.1]octan-3-one hydrochloride
IUPAC Traditional name
8-azabicyclo[3.2.1]octan-3-one hydrochloride
Synonyms
8-Azabicyclo[3,2,1]octan-3-one Hydrochloride
Nortropanone Hydrochloride
3-Nortropanone Hydrochloride
Desmethyltropinone Hydrochloride
Nortropinone Hydrochloride
Nortropinone hydrochloride
8-Aza-3-oxobicyclo[3.2.1]octane hydrochloride
8-Azabicyclo[3.2.1]octan-3-one hydrochloride
CAS Number
25602-68-0
MDL Number
MFCD03613582
PubChem SID
162076100
PubChem CID
13091218

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13091218 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.096632  H Acceptors
H Donor LogD (pH = 5.5) -2.9155667 
LogD (pH = 7.4) -2.4433835  Log P 0.31541646 
Molar Refractivity 34.0502 cm3 Polarizability 13.764601 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
>180°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Toxic/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N845750 external link
A metabolite of Tropinone.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Uchimaru, F., et al.: Chem. Pharm. Bull., 9, 304 (1961)
  • • Chappell, G.S., et al.: J. Pharmaceut. Sci., 62, 414 (1961)
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PATENTS

PATENTS

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INTERNET

INTERNET

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