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22287-35-0 molecular structure
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bicyclo[1.1.1]pentan-1-amine hydrochloride

ChemBase ID: 65955
Molecular Formular: C5H10ClN
Molecular Mass: 119.5926
Monoisotopic Mass: 119.05017701
SMILES and InChIs

SMILES:
C12(CC(C1)C2)N.Cl
Canonical SMILES:
NC12CC(C1)C2.Cl
InChI:
InChI=1S/C5H9N.ClH/c6-5-1-4(2-5)3-5;/h4H,1-3,6H2;1H
InChIKey:
LQKLVOWNBKJRJE-UHFFFAOYSA-N

Cite this record

CBID:65955 http://www.chembase.cn/molecule-65955.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bicyclo[1.1.1]pentan-1-amine hydrochloride
IUPAC Traditional name
bicyclo[1.1.1]pentan-1-amine hydrochloride
Synonyms
Bicyclo[1.1.1]pentan-1-amine hydrochloride
CAS Number
22287-35-0
MDL Number
MFCD19204065
PubChem SID
162031694
PubChem CID
54589873

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 54589873 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0034266  LogD (pH = 7.4) -2.6255043 
Log P 0.021929264  Molar Refractivity 24.4376 cm3
Polarizability 10.013423 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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