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27514-07-4 molecular structure
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7-azabicyclo[2.2.1]heptane hydrochloride

ChemBase ID: 70696
Molecular Formular: C6H12ClN
Molecular Mass: 133.61918
Monoisotopic Mass: 133.06582707
SMILES and InChIs

SMILES:
C12CCC(CC1)N2.Cl
Canonical SMILES:
C1CC2NC1CC2.Cl
InChI:
InChI=1S/C6H11N.ClH/c1-2-6-4-3-5(1)7-6;/h5-7H,1-4H2;1H
InChIKey:
JQHCKZLQJDVZPH-UHFFFAOYSA-N

Cite this record

CBID:70696 http://www.chembase.cn/molecule-70696.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-azabicyclo[2.2.1]heptane hydrochloride
IUPAC Traditional name
7-azabicyclo[2.2.1]heptane hydrochloride
Synonyms
7-Azabicyclo[2,2,1]heptane hydrochloride
7-azabicyclo[2.2.1]heptane hydrochloride
CAS Number
27514-07-4
MDL Number
MFCD00154183
PubChem SID
162036409
PubChem CID
16279503

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16279503 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5019734  LogD (pH = 7.4) -2.3801162 
Log P 0.7382506  Molar Refractivity 29.1158 cm3
Polarizability 11.859141 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)
0.69 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
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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