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112626-50-3 molecular structure
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octahydrocyclopenta[c]pyrrole hydrochloride

ChemBase ID: 67235
Molecular Formular: C7H14ClN
Molecular Mass: 147.64576
Monoisotopic Mass: 147.08147713
SMILES and InChIs

SMILES:
N1CC2C(C1)CCC2.Cl
Canonical SMILES:
C1CC2C(C1)CNC2.Cl
InChI:
InChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H
InChIKey:
HVZRRRPCVOJOLJ-UHFFFAOYSA-N

Cite this record

CBID:67235 http://www.chembase.cn/molecule-67235.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octahydrocyclopenta[c]pyrrole hydrochloride
IUPAC Traditional name
octahydrocyclopenta[c]pyrrole hydrochloride
Synonyms
3-Azabicyclo[3.3.0]octane hydrochloride
Octahydrocyclopenta[c]pyrrole hydrochloride
3-Azabicyclo[3.3.0]octanehydrochloride
CAS Number
112626-50-3
MDL Number
MFCD06411019
PubChem SID
162032971
PubChem CID
21572123

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3175461  LogD (pH = 7.4) -2.2611938 
Log P 0.9237074  Molar Refractivity 33.9764 cm3
Polarizability 13.705201 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.249 expand Show data source
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
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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