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90673-35-1 molecular structure
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3,8-diazabicyclo[3.2.1]octane dihydrochloride

ChemBase ID: 289835
Molecular Formular: C6H14Cl2N2
Molecular Mass: 185.09476
Monoisotopic Mass: 184.05340382
SMILES and InChIs

SMILES:
Cl.Cl.C12NC(CNC1)CC2
Canonical SMILES:
N1CC2CCC(C1)N2.Cl.Cl
InChI:
InChI=1S/C6H12N2.2ClH/c1-2-6-4-7-3-5(1)8-6;;/h5-8H,1-4H2;2*1H
InChIKey:
QQZDECZROKFYDQ-UHFFFAOYSA-N

Cite this record

CBID:289835 http://www.chembase.cn/molecule-289835.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,8-diazabicyclo[3.2.1]octane dihydrochloride
IUPAC Traditional name
3,8-diazabicyclo[3.2.1]octane dihydrochloride
Synonyms
3,8-Diazabicyclo[3.2.1]octane dihydrochloride
CAS Number
90673-35-1
PubChem SID
180675366
PubChem CID
22647870

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226413 Please log in.
Data Source Data ID
PubChem 22647870 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7323456  LogD (pH = 7.4) -2.696851 
Log P -0.20347522  Molar Refractivity 32.3302 cm3
Polarizability 13.381781 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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