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137729-23-8 molecular structure
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chlororutheniumylium pentaamine chloride

ChemBase ID: 152937
Molecular Formular: Cl2H15N5Ru
Molecular Mass: 257.1286
Monoisotopic Mass: 256.97479987
SMILES and InChIs

SMILES:
N.N.N.N.N.[Cl-].Cl[Ru+]
Canonical SMILES:
[Ru+]Cl.N.N.N.N.N.[Cl-]
InChI:
InChI=1S/2ClH.5H3N.Ru/h2*1H;5*1H3;/q;;;;;;;+2/p-2
InChIKey:
MEEVMUZSVXLKBU-UHFFFAOYSA-L

Cite this record

CBID:152937 http://www.chembase.cn/molecule-152937.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chlororutheniumylium pentaamine chloride
IUPAC Traditional name
chlororutheniumylium pentaamine chloride
Synonyms
Chloropentaammineruthenium(II) chloride
氯化五氨合氯钌(II)
CAS Number
137729-23-8
MDL Number
MFCD07369711
PubChem SID
162247079
24880757
PubChem CID
16217287

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
574767 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217287 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6345  LogD (pH = 7.4) 0.6345 
Log P 0.6345  Molar Refractivity 6.1363 cm3
Polarizability 7.1523056 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Melting Point
314-315 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99.99% trace metals basis expand Show data source
Empirical Formula (Hill Notation)
H15Cl2N5Ru expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 574767 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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