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18532-87-1 molecular structure
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ruthenium(3+) ion pentaamine trichloride

ChemBase ID: 302724
Molecular Formular: Cl3N5Ru
Molecular Mass: 277.4625
Monoisotopic Mass: 276.82627707
SMILES and InChIs

SMILES:
N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Ru+3]
Canonical SMILES:
N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Ru+3]
InChI:
InChI=1S/3ClH.5H3N.Ru/h3*1H;5*1H3;/q;;;;;;;;+3/p-3
InChIKey:
HLAVJMYZYQTXAH-UHFFFAOYSA-K

Cite this record

CBID:302724 http://www.chembase.cn/molecule-302724.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ruthenium(3+) ion pentaamine trichloride
IUPAC Traditional name
ruthenium(3+) ion pentaamine trichloride
Synonyms
Pentaamminechlororuthenium(III) chloride
Chloropentaammineruthenium(III) chloride
二氯化五氨合氯钌(III)
CAS Number
18532-87-1
EC Number
242-408-3
MDL Number
MFCD00011529

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7525723  LogD (pH = 7.4) -2.4393091 
Log P -0.978  Molar Refractivity 15.5149 cm3
Polarizability 2.2600515 Å3 Polar Surface Area 13.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Micro Crystals expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
VM2651100 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
Ru 33.5% min expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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